N-[3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propyl]-4,6-dimethoxy-1-methyl-indole-2-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propyl]-4,6-dimethoxy-1-methyl-indole-2-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxo-propyl]-4,6-dimethoxy-1-methyl-indole-2-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-4,6-dimethoxy-1-methyl-2-indolecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-4,6-dimethoxy-1-methylindole-2-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-keto-propyl]-4,6-dimethoxy-1-methyl-indole-2-carboxamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=CC(=C2C=C1C(=O)NCCC(=O)NC3=NC4=CC=CC=C4S3)OC)OC

Isomeric SMILES

CN1C2=CC(=CC(=C2C=C1C(=O)NCCC(=O)NC3=NC4=CC=CC=C4S3)OC)OC

InChI

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