1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-benzyl-3-[(4-keto-3H-phthalazine-1-carbonyl)amino]thiourea Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H15N5O2S/c23-15-13-9-5-4-8-12(13)14(19-20-15)16(24)21-22-17(25)18-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,20,23)(H,21,24)(H2,18,22,25)