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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NC(C)C4=CC=CC=C4

InChI

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