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

Systemtic Name: N-[1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzamide Openeye Name: N-[1-[(1-cyanocyclopropyl)carbamoyl]-3-methyl-butyl]-4-(2-piperazin-1-ylthiazol-4-yl)benzamide CAS Name: N-[1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-4-[2-(1-piperazinyl)-4-thiazolyl]benzamide IUPAC Name: N-[1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzamide Traditional Name: N-[1-[(1-cyanocyclopropyl)carbamoyl]-3-methyl-butyl]-4-(2-piperazinothiazol-4-yl)benzamide Formula: C24H30N6O2S MolecularWeight: 466.599

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CC1)C#N)NC(=O)C2=CC=C(C=C2)C3=CSC(=N3)N4CCNCC4

Isomeric SMILES

CC(C)CC(C(=O)NC1(CC1)C#N)NC(=O)C2=CC=C(C=C2)C3=CSC(=N3)N4CCNCC4

InChI

InChI=1S/C24H30N6O2S/c1-16(2)13-19(22(32)29-24(15-25)7-8-24)27-21(31)18-5-3-17(4-6-18)20-14-33-23(28-20)30-11-9-26-10-12-30/h3-6,14,16,19,26H,7-13H2,1-2H3,(H,27,31)(H,29,32)