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

Systemtic Name: S-[2-[[1-(2-dimethylaminoethylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[2-(2-dimethylaminoethylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-(2-dimethylaminoethylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(2-dimethylaminoethylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[2-(2-dimethylaminoethylamino)-2-keto-1-(2-naphthylmethyl)ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C30H38N4O3S MolecularWeight: 534.71272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCCN(C)C

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCCN(C)C

InChI

InChI=1S/C30H38N4O3S/c1-23(35)38-20-19-34(17-15-24-9-5-4-6-10-24)30(37)32-28(29(36)31-16-18-33(2)3)22-25-13-14-26-11-7-8-12-27(26)21-25/h4-14,21,28H,15-20,22H2,1-3H3,(H,31,36)(H,32,37)