1-prop-2-enyl-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)thiourea

Systemtic Name: 1-prop-2-enyl-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)thiourea Openeye Name: 1-allyl-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)thiourea CAS Name: 1-prop-2-enyl-3-[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]thiourea IUPAC Name: 1-prop-2-enyl-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)thiourea Traditional Name: 1-allyl-3-[9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]thiourea Formula: C24H28N2O4S2 MolecularWeight: 472.62012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=S)NCC=C)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=S)NCC=C)OC)OC

InChI

InChI=1S/C24H28N2O4S2/c1-6-11-25-24(31)26-17-9-7-14-12-19(28-2)22(29-3)23(30-4)21(14)15-8-10-20(32-5)18(27)13-16(15)17/h6,8,10,12-13,17H,1,7,9,11H2,2-5H3,(H2,25,26,31)