N-(cyanomethyl)-2-[[4-(4-iodophenyl)-3-methyl-1,2-thiazol-5-yl]amino]-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[[4-(4-iodophenyl)-3-methyl-1,2-thiazol-5-yl]amino]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[[4-(4-iodophenyl)-3-methyl-isothiazol-5-yl]amino]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-(4-iodophenyl)-3-methyl-5-isothiazolyl]amino]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[[4-(4-iodophenyl)-3-methyl-1,2-thiazol-5-yl]amino]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-(4-iodophenyl)-3-methyl-isothiazol-5-yl]amino]-4-methyl-valeramide Formula: C18H21IN4OS MolecularWeight: 468.35501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C2=CC=C(C=C2)I)NC(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CC1=NSC(=C1C2=CC=C(C=C2)I)NC(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C18H21IN4OS/c1-11(2)10-15(17(24)21-9-8-20)22-18-16(12(3)23-25-18)13-4-6-14(19)7-5-13/h4-7,11,15,22H,9-10H2,1-3H3,(H,21,24)