4-(4-acetamidophenyl)sulfanyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(phenylcarbonylcarbamoylamino)benzamide

Systemtic Name: 4-(4-acetamidophenyl)sulfanyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(phenylcarbonylcarbamoylamino)benzamide Openeye Name: 4-(4-acetamidophenyl)sulfanyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(benzoylcarbamoylamino)benzamide CAS Name: 4-[(4-acetamidophenyl)thio]-N-[[3-(aminomethyl)phenyl]methyl]-3-[[benzamido(oxo)methyl]amino]benzamide IUPAC Name: 4-(4-acetamidophenyl)sulfanyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(benzoylcarbamoylamino)benzamide Traditional Name: 4-[(4-acetamidophenyl)thio]-N-[3-(aminomethyl)benzyl]-3-(benzoylcarbamoylamino)benzamide Formula: C31H29N5O4S MolecularWeight: 567.65806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=CC(=C3)CN)NC(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=CC(=C3)CN)NC(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H29N5O4S/c1-20(37)34-25-11-13-26(14-12-25)41-28-15-10-24(29(38)33-19-22-7-5-6-21(16-22)18-32)17-27(28)35-31(40)36-30(39)23-8-3-2-4-9-23/h2-17H,18-19,32H2,1H3,(H,33,38)(H,34,37)(H2,35,36,39,40)