1-(1,3-benzodioxol-5-yl)-3-[2-(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-keto-7,8-dimethyl-1H-quinolin-3-yl)ethyl]thiourea Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CCNC(=S)NC3=CC4=C(C=C3)OCO4)C

InChI

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