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

Systemtic Name: 1-[2-(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-phenyl-thiourea Openeye Name: 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenyl-thiourea CAS Name: 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylthiourea IUPAC Name: 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylthiourea Traditional Name: 1-[2-(2-keto-7,8-dimethyl-1H-quinolin-3-yl)ethyl]-3-phenyl-thiourea Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS/c1-13-8-9-15-12-16(19(24)23-18(15)14(13)2)10-11-21-20(25)22-17-6-4-3-5-7-17/h3-9,12H,10-11H2,1-2H3,(H,23,24)(H2,21,22,25)