1-[(E)-1-[4-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)amino]phenyl]ethylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(E)-1-[4-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)amino]phenyl]ethylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(E)-1-[4-[(4-oxo-3-phenyl-phthalazin-1-yl)amino]phenyl]ethylideneamino]thiourea CAS Name: 1-[(E)-1-[4-[(4-oxo-3-phenyl-1-phthalazinyl)amino]phenyl]ethylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(E)-1-[4-[(4-oxo-3-phenylphthalazin-1-yl)amino]phenyl]ethylideneamino]thiourea Traditional Name: 1-benzyl-3-[(E)-1-[4-[(4-keto-3-phenyl-phthalazin-1-yl)amino]phenyl]ethylideneamino]thiourea Formula: C30H26N6OS MolecularWeight: 518.63204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC=C(C=C2)NC3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C/C(=N\NC(=S)NCC1=CC=CC=C1)/C2=CC=C(C=C2)NC3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C30H26N6OS/c1-21(33-34-30(38)31-20-22-10-4-2-5-11-22)23-16-18-24(19-17-23)32-28-26-14-8-9-15-27(26)29(37)36(35-28)25-12-6-3-7-13-25/h2-19H,20H2,1H3,(H,32,35)(H2,31,34,38)/b33-21+