N-[1-(cyclopropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[1-(cyclopropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[1-(cyclopropylcarbamoyl)-3-methyl-butyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[1-(cyclopropylcarbamoyl)-3-methyl-butyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CC1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)NC1CC1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C21H24N4O2S/c1-13(2)11-17(20(27)22-15-6-7-15)23-19(26)14-5-8-16-18(12-14)28-21(24-16)25-9-3-4-10-25/h3-5,8-10,12-13,15,17H,6-7,11H2,1-2H3,(H,22,27)(H,23,26)