S-[2-[[1-(2-dimethylaminoethylamino)-3-(3-nitro-4-phenyl-phenyl)-1-oxidanylidene-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[1-(2-dimethylaminoethylamino)-3-(3-nitro-4-phenyl-phenyl)-1-oxidanylidene-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[2-(2-dimethylaminoethylamino)-1-[(3-nitro-4-phenyl-phenyl)methyl]-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(2-dimethylaminoethylamino)-3-(3-nitro-4-phenylphenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(2-dimethylaminoethylamino)-3-(3-nitro-4-phenylphenyl)-1-oxopropan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-(2-dimethylaminoethylamino)-2-keto-1-(3-nitro-4-phenyl-benzyl)ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C32H39N5O5S MolecularWeight: 605.74756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC(=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-])C(=O)NCCN(C)C

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC(=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-])C(=O)NCCN(C)C

InChI

InChI=1S/C32H39N5O5S/c1-24(38)43-21-20-36(18-16-25-10-6-4-7-11-25)32(40)34-29(31(39)33-17-19-35(2)3)22-26-14-15-28(30(23-26)37(41)42)27-12-8-5-9-13-27/h4-15,23,29H,16-22H2,1-3H3,(H,33,39)(H,34,40)