N-[3-[[(cyanoamino)-piperazin-1-yl-methylidene]amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide

Systemtic Name: N-[3-[[(cyanoamino)-piperazin-1-yl-methylidene]amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Openeye Name: N-[3-[[(cyanoamino)-piperazin-1-yl-methylene]amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide CAS Name: N-[3-[[(cyanoamino)-(1-piperazinyl)methylidene]amino]phenyl]-3-(4-quinolinylmethylamino)-2-thiophenecarboxamide IUPAC Name: N-[3-[[(cyanoamino)-piperazin-1-ylmethylidene]amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Traditional Name: N-[3-[[(cyanoamino)-piperazino-methylene]amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide Formula: C27H26N8OS MolecularWeight: 510.61334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=NC2=CC(=CC=C2)NC(=O)C3=C(C=CS3)NCC4=CC=NC5=CC=CC=C45)NC#N

Isomeric SMILES

C1CN(CCN1)C(=NC2=CC(=CC=C2)NC(=O)C3=C(C=CS3)NCC4=CC=NC5=CC=CC=C45)NC#N

InChI

InChI=1S/C27H26N8OS/c28-18-32-27(35-13-11-29-12-14-35)34-21-5-3-4-20(16-21)33-26(36)25-24(9-15-37-25)31-17-19-8-10-30-23-7-2-1-6-22(19)23/h1-10,15-16,29,31H,11-14,17H2,(H,32,34)(H,33,36)