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

Systemtic Name: 3-ethyl-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-ethyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-ethyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-ethyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-ethyl-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CC1=CC=CC=C1)CC2=CC3=C(C=C(C=C3)OC)NC2=O

Isomeric SMILES

CCNC(=S)N(CC1=CC=CC=C1)CC2=CC3=C(C=C(C=C3)OC)NC2=O

InChI

InChI=1S/C21H23N3O2S/c1-3-22-21(27)24(13-15-7-5-4-6-8-15)14-17-11-16-9-10-18(26-2)12-19(16)23-20(17)25/h4-12H,3,13-14H2,1-2H3,(H,22,27)(H,23,25)