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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-4-cyclohexylsulfanyl-3-(phenylcarbonylcarbamoylamino)benzamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-3-(benzoylcarbamoylamino)-4-cyclohexylsulfanyl-benzamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-3-[[benzamido(oxo)methyl]amino]-4-(cyclohexylthio)benzamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-3-(benzoylcarbamoylamino)-4-cyclohexylsulfanylbenzamide Traditional Name: N-[3-(aminomethyl)benzyl]-3-(benzoylcarbamoylamino)-4-(cyclohexylthio)benzamide Formula: C29H32N4O3S MolecularWeight: 516.65438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=CC(=C3)CN)NC(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=CC(=C3)CN)NC(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H32N4O3S/c30-18-20-8-7-9-21(16-20)19-31-27(34)23-14-15-26(37-24-12-5-2-6-13-24)25(17-23)32-29(36)33-28(35)22-10-3-1-4-11-22/h1,3-4,7-11,14-17,24H,2,5-6,12-13,18-19,30H2,(H,31,34)(H2,32,33,35,36)