1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-ethyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-ethylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-ethylthiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-ethyl-1-piperonyl-thiourea Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=C(C=CC(=C4)OCC)NC3=O

Isomeric SMILES

CCNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=C(C=CC(=C4)OCC)NC3=O

InChI

InChI=1S/C23H25N3O4S/c1-3-24-23(31)26(12-15-5-8-20-21(9-15)30-14-29-20)13-17-10-16-11-18(28-4-2)6-7-19(16)25-22(17)27/h5-11H,3-4,12-14H2,1-2H3,(H,24,31)(H,25,27)