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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3OS/c1-15-8-9-16(2)20-19(15)14-18(21(26)25-20)11-13-24-22(27)23-12-10-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H,25,26)(H2,23,24,27)