1-cyclohexyl-3-(3-methoxypropyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea

Systemtic Name: 1-cyclohexyl-3-(3-methoxypropyl)-1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]thiourea Openeye Name: 1-cyclohexyl-3-(3-methoxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclohexyl-3-(3-methoxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea IUPAC Name: 1-cyclohexyl-3-(3-methoxypropyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-cyclohexyl-1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)thiourea Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NCCCOC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NCCCOC

InChI

InChI=1S/C22H31N3O2S/c1-16-9-10-20-17(13-16)14-18(21(26)24-20)15-25(19-7-4-3-5-8-19)22(28)23-11-6-12-27-2/h9-10,13-14,19H,3-8,11-12,15H2,1-2H3,(H,23,28)(H,24,26)