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

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

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NCC(C)C

InChI

InChI=1S/C21H25N3OS2/c1-14(2)11-22-21(26)24(13-18-5-4-8-27-18)12-17-10-16-7-6-15(3)9-19(16)23-20(17)25/h4-10,14H,11-13H2,1-3H3,(H,22,26)(H,23,25)