N-(3-imidazol-1-ylpropyl)-2-[2-[[(phenylmethyl)carbamothioylamino]methyl]phenyl]benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-[2-[[(phenylmethyl)carbamothioylamino]methyl]phenyl]benzamide Openeye Name: 2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-imidazol-1-ylpropyl)benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-[2-[[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]methyl]phenyl]benzamide IUPAC Name: 2-[2-[(benzylcarbamothioylamino)methyl]phenyl]-N-(3-imidazol-1-ylpropyl)benzamide Traditional Name: 2-[2-[(benzylthiocarbamoylamino)methyl]phenyl]-N-(3-imidazol-1-ylpropyl)benzamide Formula: C28H29N5OS MolecularWeight: 483.62776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NCC2=CC=CC=C2C3=CC=CC=C3C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NCC2=CC=CC=C2C3=CC=CC=C3C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C28H29N5OS/c34-27(30-15-8-17-33-18-16-29-21-33)26-14-7-6-13-25(26)24-12-5-4-11-23(24)20-32-28(35)31-19-22-9-2-1-3-10-22/h1-7,9-14,16,18,21H,8,15,17,19-20H2,(H,30,34)(H2,31,32,35)