1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-isobutyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-thienylmethyl)thiourea CAS Name: 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-isobutyl-1-[(2-keto-6-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S2/c1-14(2)11-22-21(27)24(13-18-5-4-8-28-18)12-16-9-15-10-17(26-3)6-7-19(15)23-20(16)25/h4-10,14H,11-13H2,1-3H3,(H,22,27)(H,23,25)