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

Systemtic Name: 1-[2-(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea CAS Name: 1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea Traditional Name: 1-benzyl-3-[2-(2-keto-7,8-dimethyl-1H-quinolin-3-yl)ethyl]thiourea Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NCC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3OS/c1-14-8-9-17-12-18(20(25)24-19(17)15(14)2)10-11-22-21(26)23-13-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,24,25)(H2,22,23,26)