1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(2-thienylmethyl)thiourea CAS Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(2-thenyl)thiourea Formula: C26H27N3OS2 MolecularWeight: 461.64208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C26H27N3OS2/c1-18-10-11-21-15-22(25(30)28-24(21)19(18)2)16-29(17-23-9-6-14-32-23)26(31)27-13-12-20-7-4-3-5-8-20/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,27,31)(H,28,30)