1-butan-2-yl-3-(3-methylsulfanylphenyl)-1-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]thiourea

Systemtic Name: 1-butan-2-yl-3-(3-methylsulfanylphenyl)-1-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]thiourea Openeye Name: 3-(3-methylsulfanylphenyl)-1-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-sec-butyl-thiourea CAS Name: 1-butan-2-yl-3-[3-(methylthio)phenyl]-1-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]thiourea IUPAC Name: 1-butan-2-yl-3-(3-methylsulfanylphenyl)-1-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]thiourea Traditional Name: 3-[3-(methylthio)phenyl]-1-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-sec-butyl-thiourea Formula: C25H35N3S2 MolecularWeight: 441.6955

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCC2=C1C=CC(=C2)CN(C(C)CC)C(=S)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCCN1CCCC2=C1C=CC(=C2)CN(C(C)CC)C(=S)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C25H35N3S2/c1-5-14-27-15-8-9-21-16-20(12-13-24(21)27)18-28(19(3)6-2)25(29)26-22-10-7-11-23(17-22)30-4/h7,10-13,16-17,19H,5-6,8-9,14-15,18H2,1-4H3,(H,26,29)