N-[3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxo-propyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-keto-propyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)NCCC(=O)NC3=NC4=CC=CC=C4S3)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)NCCC(=O)NC3=NC4=CC=CC=C4S3)OC)OC

InChI

InChI=1S/C22H22N4O5S/c1-29-15-11-12-10-14(24-18(12)20(31-3)19(15)30-2)21(28)23-9-8-17(27)26-22-25-13-6-4-5-7-16(13)32-22/h4-7,10-11,24H,8-9H2,1-3H3,(H,23,28)(H,25,26,27)