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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-4-(4-methoxyphenyl)sulfanyl-3-(phenylcarbonylcarbamoylamino)benzamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-3-(benzoylcarbamoylamino)-4-(4-methoxyphenyl)sulfanyl-benzamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-3-[[benzamido(oxo)methyl]amino]-4-[(4-methoxyphenyl)thio]benzamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-3-(benzoylcarbamoylamino)-4-(4-methoxyphenyl)sulfanylbenzamide Traditional Name: N-[3-(aminomethyl)benzyl]-3-(benzoylcarbamoylamino)-4-[(4-methoxyphenyl)thio]benzamide Formula: C30H28N4O4S MolecularWeight: 540.63272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C30H28N4O4S/c1-38-24-11-13-25(14-12-24)39-27-15-10-23(28(35)32-19-21-7-5-6-20(16-21)18-31)17-26(27)33-30(37)34-29(36)22-8-3-2-4-9-22/h2-17H,18-19,31H2,1H3,(H,32,35)(H2,33,34,36,37)