1-[(7-chloranyl-6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(7-chloranyl-6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(7-chloro-6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-thiourea CAS Name: 1-[(7-chloro-6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(7-chloro-6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethylthiourea Traditional Name: 1-benzyl-1-[(7-chloro-2-keto-6-methyl-1H-quinolin-3-yl)methyl]-3-ethyl-thiourea Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3OS/c1-3-23-21(27)25(12-15-7-5-4-6-8-15)13-17-10-16-9-14(2)18(22)11-19(16)24-20(17)26/h4-11H,3,12-13H2,1-2H3,(H,23,27)(H,24,26)