N-[1-[cyanomethyl(methyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzamide

Systemtic Name: N-[1-[cyanomethyl(methyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzamide Openeye Name: N-[1-[cyanomethyl(methyl)carbamoyl]-3-methyl-butyl]-4-(2-piperazin-1-ylthiazol-4-yl)benzamide CAS Name: N-[1-[cyanomethyl(methyl)amino]-4-methyl-1-oxopentan-2-yl]-4-[2-(1-piperazinyl)-4-thiazolyl]benzamide IUPAC Name: N-[1-[cyanomethyl(methyl)amino]-4-methyl-1-oxopentan-2-yl]-4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzamide Traditional Name: N-[1-[cyanomethyl(methyl)carbamoyl]-3-methyl-butyl]-4-(2-piperazinothiazol-4-yl)benzamide Formula: C23H30N6O2S MolecularWeight: 454.5883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C)CC#N)NC(=O)C1=CC=C(C=C1)C2=CSC(=N2)N3CCNCC3

Isomeric SMILES

CC(C)CC(C(=O)N(C)CC#N)NC(=O)C1=CC=C(C=C1)C2=CSC(=N2)N3CCNCC3

InChI

InChI=1S/C23H30N6O2S/c1-16(2)14-19(22(31)28(3)11-8-24)26-21(30)18-6-4-17(5-7-18)20-15-32-23(27-20)29-12-9-25-10-13-29/h4-7,15-16,19,25H,9-14H2,1-3H3,(H,26,30)