1-[(5-azanyl-3,4-diphenyl-thieno[2,3-c]pyridazin-6-yl)carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(5-azanyl-3,4-diphenyl-thieno[2,3-c]pyridazin-6-yl)carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-[(5-amino-3,4-diphenyl-thieno[2,3-c]pyridazine-6-carbonyl)amino]-3-benzyl-thiourea CAS Name: 1-[[(5-amino-3,4-diphenyl-6-thieno[2,3-c]pyridazinyl)-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-[(5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-benzylthiourea Traditional Name: 1-[(5-amino-3,4-diphenyl-thieno[2,3-c]pyridazine-6-carbonyl)amino]-3-benzyl-thiourea Formula: C27H22N6OS2 MolecularWeight: 510.63318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=C(C3=C(C(=NN=C3S2)C4=CC=CC=C4)C5=CC=CC=C5)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=C(C3=C(C(=NN=C3S2)C4=CC=CC=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C27H22N6OS2/c28-22-21-20(18-12-6-2-7-13-18)23(19-14-8-3-9-15-19)30-32-26(21)36-24(22)25(34)31-33-27(35)29-16-17-10-4-1-5-11-17/h1-15H,16,28H2,(H,31,34)(H2,29,33,35)