4-[(cyanoamino)-[(2-methylphenyl)amino]methyl]-3,3-dimethyl-N-thiophen-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-[(cyanoamino)-[(2-methylphenyl)amino]methyl]-3,3-dimethyl-N-thiophen-2-yl-piperazine-1-carboxamide Openeye Name: 4-[(cyanoamino)-(2-methylanilino)methyl]-3,3-dimethyl-N-(2-thienyl)piperazine-1-carboxamide CAS Name: 4-[(cyanoamino)-(2-methylanilino)methyl]-3,3-dimethyl-N-thiophen-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[(cyanoamino)-(2-methylanilino)methyl]-3,3-dimethyl-N-thiophen-2-ylpiperazine-1-carboxamide Traditional Name: 4-[(cyanoamino)-(o-toluidino)methyl]-3,3-dimethyl-N-(2-thienyl)piperazine-1-carboxamide Formula: C20H26N6OS MolecularWeight: 398.52504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(NC#N)N2CCN(CC2(C)C)C(=O)NC3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1NC(NC#N)N2CCN(CC2(C)C)C(=O)NC3=CC=CS3

InChI

InChI=1S/C20H26N6OS/c1-15-7-4-5-8-16(15)23-18(22-14-21)26-11-10-25(13-20(26,2)3)19(27)24-17-9-6-12-28-17/h4-9,12,18,22-23H,10-11,13H2,1-3H3,(H,24,27)