1-(4-ethoxyphenyl)-3-[2-(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)ethyl]thiourea

Systemtic Name: 1-(4-ethoxyphenyl)-3-[2-(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)ethyl]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea Traditional Name: 1-[2-(2-keto-7-methoxy-1H-quinolin-3-yl)ethyl]-3-p-phenetyl-thiourea Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NCCC2=CC3=C(C=C(C=C3)OC)NC2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NCCC2=CC3=C(C=C(C=C3)OC)NC2=O

InChI

InChI=1S/C21H23N3O3S/c1-3-27-17-8-5-16(6-9-17)23-21(28)22-11-10-15-12-14-4-7-18(26-2)13-19(14)24-20(15)25/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,25)(H2,22,23,28)