N-[3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propyl]-2-(3-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propyl]-2-(3-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxo-propyl]-2-(3-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-keto-propyl]-1-keto-2-(3-methoxyphenyl)isoquinoline-4-carboxamide Formula: C27H22N4O4S MolecularWeight: 498.55298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H22N4O4S/c1-35-18-8-6-7-17(15-18)31-16-21(19-9-2-3-10-20(19)26(31)34)25(33)28-14-13-24(32)30-27-29-22-11-4-5-12-23(22)36-27/h2-12,15-16H,13-14H2,1H3,(H,28,33)(H,29,30,32)