ethyl 6,7-dimethoxy-4-[4-[(phenylmethyl)carbamothioyl]piperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: ethyl 6,7-dimethoxy-4-[4-[(phenylmethyl)carbamothioyl]piperazin-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(benzylcarbamothioyl)piperazin-1-yl]-6,7-dimethoxy-quinoline-3-carboxylate CAS Name: 6,7-dimethoxy-4-[4-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(benzylcarbamothioyl)piperazin-1-yl]-6,7-dimethoxyquinoline-3-carboxylate Traditional Name: 4-[4-(benzylthiocarbamoyl)piperazino]-6,7-dimethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)OC)OC)N3CCN(CC3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)OC)OC)N3CCN(CC3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O4S/c1-4-34-25(31)20-17-27-21-15-23(33-3)22(32-2)14-19(21)24(20)29-10-12-30(13-11-29)26(35)28-16-18-8-6-5-7-9-18/h5-9,14-15,17H,4,10-13,16H2,1-3H3,(H,28,35)