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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-4-(3-hydroxyphenyl)sulfanyl-3-(phenylcarbonylcarbamoylamino)benzamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-3-(benzoylcarbamoylamino)-4-(3-hydroxyphenyl)sulfanyl-benzamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-3-[[benzamido(oxo)methyl]amino]-4-[(3-hydroxyphenyl)thio]benzamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-3-(benzoylcarbamoylamino)-4-(3-hydroxyphenyl)sulfanylbenzamide Traditional Name: N-[3-(aminomethyl)benzyl]-3-(benzoylcarbamoylamino)-4-[(3-hydroxyphenyl)thio]benzamide Formula: C29H26N4O4S MolecularWeight: 526.60614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=O)NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC(=C3)CN)SC4=CC=CC(=C4)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=O)NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC(=C3)CN)SC4=CC=CC(=C4)O

InChI

InChI=1S/C29H26N4O4S/c30-17-19-6-4-7-20(14-19)18-31-27(35)22-12-13-26(38-24-11-5-10-23(34)16-24)25(15-22)32-29(37)33-28(36)21-8-2-1-3-9-21/h1-16,34H,17-18,30H2,(H,31,35)(H2,32,33,36,37)