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

Systemtic Name: 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenyl-thiourea Openeye Name: 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenyl-thiourea CAS Name: 1-[10-(ethylthio)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-3-phenylthiourea IUPAC Name: 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenylthiourea Traditional Name: 1-[10-(ethylthio)-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-3-phenyl-thiourea Formula: C28H30N2O4S2 MolecularWeight: 522.6788

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O4S2/c1-5-36-24-14-12-19-20(16-22(24)31)21(30-28(35)29-18-9-7-6-8-10-18)13-11-17-15-23(32-2)26(33-3)27(34-4)25(17)19/h6-10,12,14-16,21H,5,11,13H2,1-4H3,(H2,29,30,35)