1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-phenyl-thiourea

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-phenyl-thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-phenyl-thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-phenylthiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-phenylthiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-phenyl-thiourea Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-2-27-18-8-9-19-15(13-18)12-16(20(26)23-19)14-24(10-11-25)21(28)22-17-6-4-3-5-7-17/h3-9,12-13,25H,2,10-11,14H2,1H3,(H,22,28)(H,23,26)