1-cyclohexyl-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-cyclohexyl-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-cyclohexyl-1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]thiourea Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NCC4=CC=CC=C4

InChI

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