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

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-isobutyl-1-(2-thienylmethyl)thiourea CAS Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-isobutyl-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-1-(2-thenyl)thiourea Formula: C22H27N3OS2 MolecularWeight: 413.59928

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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)NCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS2/c1-14(2)11-23-22(27)25(13-19-6-5-9-28-19)12-18-10-17-8-7-15(3)16(4)20(17)24-21(18)26/h5-10,14H,11-13H2,1-4H3,(H,23,27)(H,24,26)