[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] N-(2-phenothiazin-10-ylethanoylamino)-N'-phenyl-carbamimidothioate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] N-(2-phenothiazin-10-ylethanoylamino)-N'-phenyl-carbamimidothioate Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]-1-[(2-phenothiazin-10-ylacetyl)amino]-3-phenyl-isothiourea CAS Name: N-[[1-oxo-2-(10-phenothiazinyl)ethyl]amino]-N'-phenylcarbamimidothioic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] N-[(2-phenothiazin-10-ylacetyl)amino]-N'-phenylcarbamimidothioate Traditional Name: 2-[2-(4-chlorophenyl)-2-keto-ethyl]-1-[(2-phenothiazin-10-ylacetyl)amino]-3-phenyl-isothiourea Formula: C29H23ClN4O2S2 MolecularWeight: 559.10152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(NNC(=O)CN2C3=CC=CC=C3SC4=CC=CC=C42)SCC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N=C(NNC(=O)CN2C3=CC=CC=C3SC4=CC=CC=C42)SCC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H23ClN4O2S2/c30-21-16-14-20(15-17-21)25(35)19-37-29(31-22-8-2-1-3-9-22)33-32-28(36)18-34-23-10-4-6-12-26(23)38-27-13-7-5-11-24(27)34/h1-17H,18-19H2,(H,31,33)(H,32,36)