N-[[3-(aminomethyl)phenyl]methyl]-3-(phenylcarbonylcarbamoylamino)-4-pyridin-2-ylsulfanyl-benzamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-3-(phenylcarbonylcarbamoylamino)-4-pyridin-2-ylsulfanyl-benzamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-3-(benzoylcarbamoylamino)-4-(2-pyridylsulfanyl)benzamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-3-[[benzamido(oxo)methyl]amino]-4-(2-pyridinylthio)benzamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-3-(benzoylcarbamoylamino)-4-pyridin-2-ylsulfanylbenzamide Traditional Name: N-[3-(aminomethyl)benzyl]-3-(benzoylcarbamoylamino)-4-(2-pyridylthio)benzamide Formula: C28H25N5O3S MolecularWeight: 511.5948

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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=N4

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=N4

InChI

InChI=1S/C28H25N5O3S/c29-17-19-7-6-8-20(15-19)18-31-26(34)22-12-13-24(37-25-11-4-5-14-30-25)23(16-22)32-28(36)33-27(35)21-9-2-1-3-10-21/h1-16H,17-18,29H2,(H,31,34)(H2,32,33,35,36)