1-[4-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]-3-phenyl-thiourea

Systemtic Name: 1-[4-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]-3-phenyl-thiourea Openeye Name: 1-[4-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]-3-phenyl-thiourea CAS Name: 1-[4-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]phenyl]-3-phenylthiourea IUPAC Name: 1-[4-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylphenyl]-3-phenylthiourea Traditional Name: 1-[4-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]phenyl]-3-phenyl-thiourea Formula: C27H21N3OS3 MolecularWeight: 499.67014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C27H21N3OS3/c31-26(30-22-10-4-6-12-24(22)34-25-13-7-5-11-23(25)30)18-33-21-16-14-20(15-17-21)29-27(32)28-19-8-2-1-3-9-19/h1-17H,18H2,(H2,28,29,32)