3-(2,5-dimethylphenyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)thiourea

Systemtic Name: 3-(2,5-dimethylphenyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)thiourea Openeye Name: 3-(2,5-dimethylphenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)thiourea CAS Name: 3-(2,5-dimethylphenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(1-pyrrolidinyl)ethyl]thiourea IUPAC Name: 3-(2,5-dimethylphenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)thiourea Traditional Name: 3-(2,5-dimethylphenyl)-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidinoethyl)thiourea Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCCC3)C(=S)NC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCCC3)C(=S)NC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C27H34N4O2S/c1-4-33-23-9-10-24-21(17-23)16-22(26(32)28-24)18-31(14-13-30-11-5-6-12-30)27(34)29-25-15-19(2)7-8-20(25)3/h7-10,15-17H,4-6,11-14,18H2,1-3H3,(H,28,32)(H,29,34)