1-(1,3-benzodioxol-5-yl)-3-[2-(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-keto-6,7-dimethyl-1H-quinolin-3-yl)ethyl]thiourea Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=S)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=S)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H21N3O3S/c1-12-7-15-9-14(20(25)24-17(15)8-13(12)2)5-6-22-21(28)23-16-3-4-18-19(10-16)27-11-26-18/h3-4,7-10H,5-6,11H2,1-2H3,(H,24,25)(H2,22,23,28)