N-[4-[[4-(aminomethyl)phenyl]methylcarbamoyl]-3-chloranyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-[[4-(aminomethyl)phenyl]methylcarbamoyl]-3-chloranyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-[[4-(aminomethyl)phenyl]methylcarbamoyl]-3-chloro-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-[[[4-(aminomethyl)phenyl]methylamino]-oxomethyl]-3-chlorophenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-[[4-(aminomethyl)phenyl]methylcarbamoyl]-3-chlorophenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-[[4-(aminomethyl)benzyl]carbamoyl]-3-chloro-phenyl]-2-(phenylthio)nicotinamide Formula: C27H23ClN4O2S MolecularWeight: 503.01512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC(=C(C=C3)C(=O)NCC4=CC=C(C=C4)CN)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC(=C(C=C3)C(=O)NCC4=CC=C(C=C4)CN)Cl

InChI

InChI=1S/C27H23ClN4O2S/c28-24-15-20(12-13-22(24)25(33)31-17-19-10-8-18(16-29)9-11-19)32-26(34)23-7-4-14-30-27(23)35-21-5-2-1-3-6-21/h1-15H,16-17,29H2,(H,31,33)(H,32,34)