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

Systemtic Name: 3-butyl-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-butyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-thienylmethyl)thiourea CAS Name: 3-butyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-butyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-butyl-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:

CCCCNC(=S)N(CC1=CC=CS1)CC2=CC3=C(C(=C(C=C3)C)C)NC2=O

Isomeric SMILES

CCCCNC(=S)N(CC1=CC=CS1)CC2=CC3=C(C(=C(C=C3)C)C)NC2=O

InChI

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