2-[(4-phenoxyphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)propanamide

Systemtic Name: 2-[(4-phenoxyphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)-N-(2-pyrrolidin-1-ylethyl)propanamide Openeye Name: 3-benzylsulfanyl-2-[(4-phenoxyphenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)propanamide CAS Name: 2-[[oxo-(4-phenoxyanilino)methyl]amino]-3-(phenylmethylthio)-N-[2-(1-pyrrolidinyl)ethyl]propanamide IUPAC Name: 3-benzylsulfanyl-2-[(4-phenoxyphenyl)carbamoylamino]-N-(2-pyrrolidin-1-ylethyl)propanamide Traditional Name: 3-(benzylthio)-2-[(4-phenoxyphenyl)carbamoylamino]-N-(2-pyrrolidinoethyl)propionamide Formula: C29H34N4O3S MolecularWeight: 518.67026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)C(CSCC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCNC(=O)C(CSCC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H34N4O3S/c34-28(30-17-20-33-18-7-8-19-33)27(22-37-21-23-9-3-1-4-10-23)32-29(35)31-24-13-15-26(16-14-24)36-25-11-5-2-6-12-25/h1-6,9-16,27H,7-8,17-22H2,(H,30,34)(H2,31,32,35)