1-(diphenylphosphinothioylamino)-3-(4-ethanoylphenyl)thiourea

Systemtic Name: 1-(diphenylphosphinothioylamino)-3-(4-ethanoylphenyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-(diphenylphosphinothioylamino)thiourea CAS Name: 1-(4-acetylphenyl)-3-(diphenylphosphinothioylamino)thiourea IUPAC Name: 1-(4-acetylphenyl)-3-(diphenylphosphinothioylamino)thiourea Traditional Name: 1-(4-acetylphenyl)-3-(diphenylthiophosphorylamino)thiourea Formula: C21H20N3OPS2 MolecularWeight: 425.506761

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NNP(=S)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NNP(=S)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N3OPS2/c1-16(25)17-12-14-18(15-13-17)22-21(27)23-24-26(28,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,1H3,(H,24,28)(H2,22,23,27)