N-[3-chloranyl-5-[(N-cyano-N'-methyl-carbamimidoyl)amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide

Systemtic Name: N-[3-chloranyl-5-[(N-cyano-N'-methyl-carbamimidoyl)amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Openeye Name: N-[3-chloro-5-[(N-cyano-N'-methyl-carbamimidoyl)amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide CAS Name: N-[3-chloro-5-[[(cyanoamino)-methyliminomethyl]amino]phenyl]-3-(4-quinolinylmethylamino)-2-thiophenecarboxamide IUPAC Name: N-[3-chloro-5-[(N-cyano-N'-methylcarbamimidoyl)amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Traditional Name: N-[3-chloro-5-[(N-cyano-N'-methyl-amidino)amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide Formula: C24H20ClN7OS MolecularWeight: 489.9799

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN7OS/c1-27-24(30-14-26)32-18-11-16(25)10-17(12-18)31-23(33)22-21(7-9-34-22)29-13-15-6-8-28-20-5-3-2-4-19(15)20/h2-12,29H,13H2,1H3,(H,31,33)(H2,27,30,32)