1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(4-keto-3H-phthalazine-1-carbonyl)amino]thiourea Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

C=CCNC(=S)NNC(=O)C1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C13H13N5O2S/c1-2-7-14-13(21)18-17-12(20)10-8-5-3-4-6-9(8)11(19)16-15-10/h2-6H,1,7H2,(H,16,19)(H,17,20)(H2,14,18,21)