N-[(E)-N'-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)carbonyl-carbamimidoyl]-3-methyl-benzamide

Systemtic Name: N-[(E)-N'-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)carbonyl-carbamimidoyl]-3-methyl-benzamide Openeye Name: N-[(E)-N'-(1,3-benzothiazol-2-yl)-N-(4-methylbenzoyl)carbamimidoyl]-3-methyl-benzamide CAS Name: N-[(E)-1,3-benzothiazol-2-ylimino-[[(4-methylphenyl)-oxomethyl]amino]methyl]-3-methylbenzamide IUPAC Name: N-[(E)-N'-(1,3-benzothiazol-2-yl)-N-(4-methylbenzoyl)carbamimidoyl]-3-methylbenzamide Traditional Name: N-[(E)-N'-(1,3-benzothiazol-2-yl)-N-p-toluoyl-amidino]-3-methyl-benzamide Formula: C24H20N4O2S MolecularWeight: 428.5062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=NC2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=N\C2=NC3=CC=CC=C3S2)/NC(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C24H20N4O2S/c1-15-10-12-17(13-11-15)21(29)26-23(27-22(30)18-7-5-6-16(2)14-18)28-24-25-19-8-3-4-9-20(19)31-24/h3-14H,1-2H3,(H2,25,26,27,28,29,30)