N-[3-[(N-cyano-N'-methyl-carbamimidoyl)amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide

Systemtic Name: N-[3-[(N-cyano-N'-methyl-carbamimidoyl)amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Openeye Name: N-[3-[(N-cyano-N'-methyl-carbamimidoyl)amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide CAS Name: N-[3-[[(cyanoamino)-methyliminomethyl]amino]phenyl]-3-(4-quinolinylmethylamino)-2-thiophenecarboxamide IUPAC Name: N-[3-[(N-cyano-N'-methylcarbamimidoyl)amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Traditional Name: N-[3-[(N-cyano-N'-methyl-amidino)amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide Formula: C24H21N7OS MolecularWeight: 455.53484

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)NC1=CC=CC(=C1)NC(=O)C2=C(C=CS2)NCC3=CC=NC4=CC=CC=C34

Isomeric SMILES

CN=C(NC#N)NC1=CC=CC(=C1)NC(=O)C2=C(C=CS2)NCC3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C24H21N7OS/c1-26-24(29-15-25)31-18-6-4-5-17(13-18)30-23(32)22-21(10-12-33-22)28-14-16-9-11-27-20-8-3-2-7-19(16)20/h2-13,28H,14H2,1H3,(H,30,32)(H2,26,29,31)