N-[4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butyl]-4,7-dimethoxy-1H-indole-2-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butyl]-4,7-dimethoxy-1H-indole-2-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylamino)-4-oxo-butyl]-4,7-dimethoxy-1H-indole-2-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-ylamino)-4-oxobutyl]-4,7-dimethoxy-1H-indole-2-carboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylamino)-4-oxobutyl]-4,7-dimethoxy-1H-indole-2-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylamino)-4-keto-butyl]-4,7-dimethoxy-1H-indole-2-carboxamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(NC2=C(C=C1)OC)C(=O)NCCCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C2C=C(NC2=C(C=C1)OC)C(=O)NCCCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4O4S/c1-29-16-9-10-17(30-2)20-13(16)12-15(24-20)21(28)23-11-5-8-19(27)26-22-25-14-6-3-4-7-18(14)31-22/h3-4,6-7,9-10,12,24H,5,8,11H2,1-2H3,(H,23,28)(H,25,26,27)