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

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propyl]-4,7-dimethoxy-1-methyl-indole-2-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxo-propyl]-4,7-dimethoxy-1-methyl-indole-2-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-4,7-dimethoxy-1-methyl-2-indolecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-4,7-dimethoxy-1-methylindole-2-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-keto-propyl]-4,7-dimethoxy-1-methyl-indole-2-carboxamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C(C=CC(=C21)OC)OC)C(=O)NCCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C(=CC2=C(C=CC(=C21)OC)OC)C(=O)NCCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4O4S/c1-26-15(12-13-16(29-2)8-9-17(30-3)20(13)26)21(28)23-11-10-19(27)25-22-24-14-6-4-5-7-18(14)31-22/h4-9,12H,10-11H2,1-3H3,(H,23,28)(H,24,25,27)