phenyl N-cyano-N'-[3-[[3-(quinolin-4-ylmethylamino)thiophen-2-yl]carbonylamino]phenyl]carbamimidate

Systemtic Name: phenyl N-cyano-N'-[3-[[3-(quinolin-4-ylmethylamino)thiophen-2-yl]carbonylamino]phenyl]carbamimidate Openeye Name: N-[3-[[(cyanoamino)-phenoxy-methylene]amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide CAS Name: N-cyano-N'-[3-[[oxo-[3-(4-quinolinylmethylamino)-2-thiophenyl]methyl]amino]phenyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-[3-[[3-(quinolin-4-ylmethylamino)thiophene-2-carbonyl]amino]phenyl]carbamimidate Traditional Name: N-[3-[[(cyanoamino)-phenoxy-methylene]amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide Formula: C29H22N6O2S MolecularWeight: 518.58898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=NC2=CC(=CC=C2)NC(=O)C3=C(C=CS3)NCC4=CC=NC5=CC=CC=C45)NC#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=NC2=CC(=CC=C2)NC(=O)C3=C(C=CS3)NCC4=CC=NC5=CC=CC=C45)NC#N

InChI

InChI=1S/C29H22N6O2S/c30-19-33-29(37-23-9-2-1-3-10-23)35-22-8-6-7-21(17-22)34-28(36)27-26(14-16-38-27)32-18-20-13-15-31-25-12-5-4-11-24(20)25/h1-17,32H,18H2,(H,33,35)(H,34,36)