1-[[7-oxidanylidene-7-[2-(phenylcarbamothioyl)hydrazinyl]heptanoyl]amino]-3-phenyl-thiourea

Systemtic Name: 1-[[7-oxidanylidene-7-[2-(phenylcarbamothioyl)hydrazinyl]heptanoyl]amino]-3-phenyl-thiourea Openeye Name: 1-[[7-oxo-7-[2-(phenylcarbamothioyl)hydrazino]heptanoyl]amino]-3-phenyl-thiourea CAS Name: 1-[[7-[[anilino(sulfanylidene)methyl]hydrazo]-1,7-dioxoheptyl]amino]-3-phenylthiourea IUPAC Name: 1-[[7-oxo-7-[2-(phenylcarbamothioyl)hydrazinyl]heptanoyl]amino]-3-phenylthiourea Traditional Name: 1-[[7-keto-7-[N'-(phenylthiocarbamoyl)hydrazino]heptanoyl]amino]-3-phenyl-thiourea Formula: C21H26N6O2S2 MolecularWeight: 458.60014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC(=O)CCCCCC(=O)NNC(=S)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC(=O)CCCCCC(=O)NNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C21H26N6O2S2/c28-18(24-26-20(30)22-16-10-4-1-5-11-16)14-8-3-9-15-19(29)25-27-21(31)23-17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,24,28)(H,25,29)(H2,22,26,30)(H2,23,27,31)