N-[[4-(aminocarbonylamino)phenyl]methyl]-2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[[4-(aminocarbonylamino)phenyl]methyl]-2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[(4-ureidophenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-[[4-(carbamoylamino)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[[4-(carbamoylamino)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-(4-ureidobenzyl)nicotinamide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)NC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)NC(=O)N

InChI

InChI=1S/C21H19BrN4O2S/c22-16-4-1-3-15(11-16)13-29-20-18(5-2-10-24-20)19(27)25-12-14-6-8-17(9-7-14)26-21(23)28/h1-11H,12-13H2,(H,25,27)(H3,23,26,28)