3-(2,3-dimethylphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea

Systemtic Name: 3-(2,3-dimethylphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 3-(2,3-dimethylphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-(2,3-dimethylphenyl)-1-[(1-ethyl-2-pyrrolidinyl)methyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 3-(2,3-dimethylphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-(2,3-dimethylphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C27H34N4OS MolecularWeight: 462.65006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CN(CC2=CC3=C(C=C(C=C3)C)NC2=O)C(=S)NC4=CC=CC(=C4C)C

Isomeric SMILES

CCN1CCCC1CN(CC2=CC3=C(C=C(C=C3)C)NC2=O)C(=S)NC4=CC=CC(=C4C)C

InChI

InChI=1S/C27H34N4OS/c1-5-30-13-7-9-23(30)17-31(27(33)29-24-10-6-8-19(3)20(24)4)16-22-15-21-12-11-18(2)14-25(21)28-26(22)32/h6,8,10-12,14-15,23H,5,7,9,13,16-17H2,1-4H3,(H,28,32)(H,29,33)