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

Systemtic Name: N-[3-[[(cyanoamino)-piperidin-1-yl-methylidene]amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Openeye Name: N-[3-[[(cyanoamino)-(1-piperidyl)methylene]amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide CAS Name: N-[3-[[(cyanoamino)-(1-piperidinyl)methylidene]amino]phenyl]-3-(4-quinolinylmethylamino)-2-thiophenecarboxamide IUPAC Name: N-[3-[[(cyanoamino)-piperidin-1-ylmethylidene]amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Traditional Name: N-[3-[[(cyanoamino)-piperidino-methylene]amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide Formula: C28H27N7OS MolecularWeight: 509.62528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=NC2=CC(=CC=C2)NC(=O)C3=C(C=CS3)NCC4=CC=NC5=CC=CC=C45)NC#N

Isomeric SMILES

C1CCN(CC1)C(=NC2=CC(=CC=C2)NC(=O)C3=C(C=CS3)NCC4=CC=NC5=CC=CC=C45)NC#N

InChI

InChI=1S/C28H27N7OS/c29-19-32-28(35-14-4-1-5-15-35)34-22-8-6-7-21(17-22)33-27(36)26-25(12-16-37-26)31-18-20-11-13-30-24-10-3-2-9-23(20)24/h2-3,6-13,16-17,31H,1,4-5,14-15,18H2,(H,32,34)(H,33,36)