1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-phenyl-thiourea

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-phenyl-thiourea Openeye Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-phenyl-thiourea CAS Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-phenylthiourea IUPAC Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-phenylthiourea Traditional Name: 1-(3-hydroxypropyl)-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-3-phenyl-thiourea Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O2S/c1-15-9-10-17-13-18(21(27)24-20(17)16(15)2)14-25(11-6-12-26)22(28)23-19-7-4-3-5-8-19/h3-5,7-10,13,26H,6,11-12,14H2,1-2H3,(H,23,28)(H,24,27)