ethyl 4-[[butan-2-yl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[butan-2-yl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl-sec-butyl-carbamothioyl]amino]benzoate CAS Name: 4-[[[butan-2-yl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[butan-2-yl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 4-[[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl-sec-butyl-thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C27H37N3O2S MolecularWeight: 467.66658

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCC2=C1C=CC(=C2)CN(C(C)CC)C(=S)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCN1CCCC2=C1C=CC(=C2)CN(C(C)CC)C(=S)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C27H37N3O2S/c1-5-16-29-17-8-9-23-18-21(10-15-25(23)29)19-30(20(4)6-2)27(33)28-24-13-11-22(12-14-24)26(31)32-7-3/h10-15,18,20H,5-9,16-17,19H2,1-4H3,(H,28,33)