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

Systemtic Name: N-[4-methyl-1-oxidanylidene-1-(propan-2-ylamino)pentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[1-(isopropylcarbamoyl)-3-methyl-butyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[4-methyl-1-oxo-1-(propan-2-ylamino)pentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[1-(isopropylcarbamoyl)-3-methyl-butyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC(C)C)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

InChI

InChI=1S/C21H26N4O2S/c1-13(2)11-17(20(27)22-14(3)4)23-19(26)15-7-8-16-18(12-15)28-21(24-16)25-9-5-6-10-25/h5-10,12-14,17H,11H2,1-4H3,(H,22,27)(H,23,26)