1-(1,3-benzodioxol-5-yl)-3-[2-(5,8-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(5,8-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-keto-5,8-dimethoxy-1H-quinolin-3-yl)ethyl]thiourea Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C2C=C(C(=O)NC2=C(C=C1)OC)CCNC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O5S/c1-26-15-5-6-17(27-2)19-14(15)9-12(20(25)24-19)7-8-22-21(30)23-13-3-4-16-18(10-13)29-11-28-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,25)(H2,22,23,30)