4-[[N-cyano-N'-(3,3-dimethylbutan-2-yl)carbamimidoyl]amino]-N-(phenylmethyl)benzamide

Systemtic Name: 4-[[N-cyano-N'-(3,3-dimethylbutan-2-yl)carbamimidoyl]amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-4-[[N-cyano-N'-(1,2,2-trimethylpropyl)carbamimidoyl]amino]benzamide CAS Name: 4-[[(cyanoamino)-(3,3-dimethylbutan-2-ylimino)methyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-[[N-cyano-N'-(3,3-dimethylbutan-2-yl)carbamimidoyl]amino]benzamide Traditional Name: N-benzyl-4-[[N-cyano-N'-(1,2,2-trimethylpropyl)amidino]amino]benzamide Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)N=C(NC#N)NC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C(C)(C)C)N=C(NC#N)NC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H27N5O/c1-16(22(2,3)4)26-21(25-15-23)27-19-12-10-18(11-13-19)20(28)24-14-17-8-6-5-7-9-17/h5-13,16H,14H2,1-4H3,(H,24,28)(H2,25,26,27)