3-butyl-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-butyl-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-butyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-thienylmethyl)thiourea CAS Name: 3-butyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-butyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-butyl-1-[(2-keto-5,7-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:

CCCCNC(=S)N(CC1=CC=CS1)CC2=CC3=C(C=C(C=C3NC2=O)C)C

Isomeric SMILES

CCCCNC(=S)N(CC1=CC=CS1)CC2=CC3=C(C=C(C=C3NC2=O)C)C

InChI

InChI=1S/C22H27N3OS2/c1-4-5-8-23-22(27)25(14-18-7-6-9-28-18)13-17-12-19-16(3)10-15(2)11-20(19)24-21(17)26/h6-7,9-12H,4-5,8,13-14H2,1-3H3,(H,23,27)(H,24,26)