[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]propyl 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid 1-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]propyl ester Formula: C29H24ClN3O4S MolecularWeight: 546.03656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H24ClN3O4S/c1-4-22(26(34)32-29-31-21-14-9-16(2)15-23(21)38-29)37-28(36)25-24(17-10-12-18(30)13-11-17)19-7-5-6-8-20(19)27(35)33(25)3/h5-15,22H,4H2,1-3H3,(H,31,32,34)