1-(1,3-benzodioxol-5-yl)-3-[2-(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-keto-7-methoxy-1H-quinolin-3-yl)ethyl]thiourea Formula: C20H19N3O4S MolecularWeight: 397.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O4S/c1-25-15-4-2-12-8-13(19(24)23-16(12)10-15)6-7-21-20(28)22-14-3-5-17-18(9-14)27-11-26-17/h2-5,8-10H,6-7,11H2,1H3,(H,23,24)(H2,21,22,28)