3-cyclohexyl-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-cyclohexyl-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-cyclohexyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-cyclohexyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-cyclohexyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-cyclohexyl-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4CCCCC4

InChI

InChI=1S/C25H29N3OS/c1-18-12-13-20-15-21(24(29)27-23(20)14-18)17-28(16-19-8-4-2-5-9-19)25(30)26-22-10-6-3-7-11-22/h2,4-5,8-9,12-15,22H,3,6-7,10-11,16-17H2,1H3,(H,26,30)(H,27,29)