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

Systemtic Name: 1-cyclopentyl-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-cyclopentyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclopentyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-cyclopentyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-cyclopentyl-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]thiourea Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3OS/c1-2-18-12-13-23-20(14-18)15-21(24(29)27-23)17-28(22-10-6-7-11-22)25(30)26-16-19-8-4-3-5-9-19/h3-5,8-9,12-15,22H,2,6-7,10-11,16-17H2,1H3,(H,26,30)(H,27,29)