N-(1,3-benzothiazol-2-yl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-cyclohexyl-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C30H29N3O3S MolecularWeight: 511.63456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)NC5=NC6=CC=CC=C6S5

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)NC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C30H29N3O3S/c1-36-21-17-15-19(16-18-21)27-26(28(34)32-30-31-24-13-7-8-14-25(24)37-30)22-11-5-6-12-23(22)29(35)33(27)20-9-3-2-4-10-20/h5-8,11-18,20,26-27H,2-4,9-10H2,1H3,(H,31,32,34)