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

Systemtic Name: 3-butyl-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-butyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-thienylmethyl)thiourea CAS Name: 3-butyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-butyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-butyl-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-1-(2-thenyl)thiourea Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S2/c1-3-4-9-22-21(27)24(14-18-6-5-10-28-18)13-16-11-15-7-8-17(26-2)12-19(15)23-20(16)25/h5-8,10-12H,3-4,9,13-14H2,1-2H3,(H,22,27)(H,23,25)