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

Systemtic Name: 1-cyclopentyl-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-cyclopentyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2S/c1-2-31-23-12-13-24-20(17-23)16-21(25(30)28-24)18-29(22-10-6-7-11-22)26(32)27-15-14-19-8-4-3-5-9-19/h3-5,8-9,12-13,16-17,22H,2,6-7,10-11,14-15,18H2,1H3,(H,27,32)(H,28,30)