S-[4-[2-dimethylaminoethyl-(phenethylcarbamoylamino)amino]-4-oxidanylidene-3-[(4-phenylphenyl)methyl]butyl] ethanethioate

Systemtic Name: S-[4-[2-dimethylaminoethyl-(phenethylcarbamoylamino)amino]-4-oxidanylidene-3-[(4-phenylphenyl)methyl]butyl] ethanethioate Openeye Name: S-[4-[2-dimethylaminoethyl-(phenethylcarbamoylamino)amino]-4-oxo-3-[(4-phenylphenyl)methyl]butyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-dimethylaminoethyl-[[oxo-(phenethylamino)methyl]amino]amino]-4-oxo-3-[(4-phenylphenyl)methyl]butyl] ester IUPAC Name: S-[4-[2-dimethylaminoethyl-(phenethylcarbamoylamino)amino]-4-oxo-3-[(4-phenylphenyl)methyl]butyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-dimethylaminoethyl-(phenethylcarbamoylamino)amino]-4-keto-3-(4-phenylbenzyl)butyl] ester Formula: C32H40N4O3S MolecularWeight: 560.75

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)N(CCN(C)C)NC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCCC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)N(CCN(C)C)NC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C32H40N4O3S/c1-25(37)40-23-19-30(24-27-14-16-29(17-15-27)28-12-8-5-9-13-28)31(38)36(22-21-35(2)3)34-32(39)33-20-18-26-10-6-4-7-11-26/h4-17,30H,18-24H2,1-3H3,(H2,33,34,39)