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

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(2-pyrrolidin-1-ylethyl)thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(2-pyrrolidin-1-ylethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-[2-(1-pyrrolidinyl)ethyl]thiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(2-pyrrolidin-1-ylethyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-phenethyl-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)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCCC3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2S/c1-2-33-24-10-11-25-22(19-24)18-23(26(32)29-25)20-31(17-16-30-14-6-7-15-30)27(34)28-13-12-21-8-4-3-5-9-21/h3-5,8-11,18-19H,2,6-7,12-17,20H2,1H3,(H,28,34)(H,29,32)