1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(2-thenyl)thiourea Formula: C26H27N3OS2 MolecularWeight: 461.64208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NC(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NC(C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H27N3OS2/c1-17-12-18(2)24-21(13-17)14-22(25(30)28-24)15-29(16-23-10-7-11-32-23)26(31)27-19(3)20-8-5-4-6-9-20/h4-14,19H,15-16H2,1-3H3,(H,27,31)(H,28,30)