4-(3,4-dimethylphenyl)sulfanyl-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide

Systemtic Name: 4-(3,4-dimethylphenyl)sulfanyl-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide Openeye Name: 4-(3,4-dimethylphenyl)sulfanyl-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide CAS Name: 4-[(3,4-dimethylphenyl)thio]-3-[(1-oxo-3-phenylpropyl)amino]-N-[2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 4-(3,4-dimethylphenyl)sulfanyl-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide Traditional Name: 4-[(3,4-dimethylphenyl)thio]-3-(hydrocinnamoylamino)-N-(2-pyrrolidinoethyl)benzamide Formula: C30H35N3O2S MolecularWeight: 501.6828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCN3CCCC3)NC(=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCN3CCCC3)NC(=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C30H35N3O2S/c1-22-10-13-26(20-23(22)2)36-28-14-12-25(30(35)31-16-19-33-17-6-7-18-33)21-27(28)32-29(34)15-11-24-8-4-3-5-9-24/h3-5,8-10,12-14,20-21H,6-7,11,15-19H2,1-2H3,(H,31,35)(H,32,34)