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

Systemtic Name: 3-butyl-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-butyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-thienylmethyl)thiourea CAS Name: 3-butyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-butyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-butyl-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-1-(2-thenyl)thiourea Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS2/c1-3-4-9-22-21(26)24(14-18-6-5-10-27-18)13-17-12-16-8-7-15(2)11-19(16)23-20(17)25/h5-8,10-12H,3-4,9,13-14H2,1-2H3,(H,22,26)(H,23,25)