3-butyl-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-butyl-1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-butyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-butyl-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C24H29N3OS MolecularWeight: 407.57156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC1=CC=CC=C1)CC2=CC3=CC(=C(C=C3NC2=O)C)C

Isomeric SMILES

CCCCNC(=S)N(CC1=CC=CC=C1)CC2=CC3=CC(=C(C=C3NC2=O)C)C

InChI

InChI=1S/C24H29N3OS/c1-4-5-11-25-24(29)27(15-19-9-7-6-8-10-19)16-21-14-20-12-17(2)18(3)13-22(20)26-23(21)28/h6-10,12-14H,4-5,11,15-16H2,1-3H3,(H,25,29)(H,26,28)