1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethylthiourea Traditional Name: 1-benzyl-3-ethyl-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS/c1-4-23-22(27)25(13-17-8-6-5-7-9-17)14-18-12-19-15(2)10-11-16(3)20(19)24-21(18)26/h5-12H,4,13-14H2,1-3H3,(H,23,27)(H,24,26)