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

Systemtic Name: N-[3-[(N-cyano-N'-methyl-carbamimidoyl)amino]-4-methyl-phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Openeye Name: N-[3-[(N-cyano-N'-methyl-carbamimidoyl)amino]-4-methyl-phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide CAS Name: N-[3-[[(cyanoamino)-methyliminomethyl]amino]-4-methylphenyl]-3-(4-quinolinylmethylamino)-2-thiophenecarboxamide IUPAC Name: N-[3-[(N-cyano-N'-methylcarbamimidoyl)amino]-4-methylphenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Traditional Name: N-[3-[(N-cyano-N'-methyl-amidino)amino]-4-methyl-phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide Formula: C25H23N7OS MolecularWeight: 469.56142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CS2)NCC3=CC=NC4=CC=CC=C34)NC(=NC)NC#N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CS2)NCC3=CC=NC4=CC=CC=C34)NC(=NC)NC#N

InChI

InChI=1S/C25H23N7OS/c1-16-7-8-18(13-22(16)32-25(27-2)30-15-26)31-24(33)23-21(10-12-34-23)29-14-17-9-11-28-20-6-4-3-5-19(17)20/h3-13,29H,14H2,1-2H3,(H,31,33)(H2,27,30,32)