N-[4-[[(cyanoamino)-morpholin-4-yl-methylidene]amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide

Systemtic Name: N-[4-[[(cyanoamino)-morpholin-4-yl-methylidene]amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Openeye Name: N-[4-[[(cyanoamino)-morpholino-methylene]amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide CAS Name: N-[4-[[(cyanoamino)-(4-morpholinyl)methylidene]amino]phenyl]-3-(4-quinolinylmethylamino)-2-thiophenecarboxamide IUPAC Name: N-[4-[[(cyanoamino)-morpholin-4-ylmethylidene]amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Traditional Name: N-[4-[[(cyanoamino)-morpholino-methylene]amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide Formula: C27H25N7O2S MolecularWeight: 511.5981

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=NC2=CC=C(C=C2)NC(=O)C3=C(C=CS3)NCC4=CC=NC5=CC=CC=C45)NC#N

Isomeric SMILES

C1COCCN1C(=NC2=CC=C(C=C2)NC(=O)C3=C(C=CS3)NCC4=CC=NC5=CC=CC=C45)NC#N

InChI

InChI=1S/C27H25N7O2S/c28-18-31-27(34-12-14-36-15-13-34)33-21-7-5-20(6-8-21)32-26(35)25-24(10-16-37-25)30-17-19-9-11-29-23-4-2-1-3-22(19)23/h1-11,16,30H,12-15,17H2,(H,31,33)(H,32,35)