N-[azanyl-[[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]amino]methylidene]ethanamide

Systemtic Name: N-[azanyl-[[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]amino]methylidene]ethanamide Openeye Name: N-[amino-[4-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-anilino]methylene]acetamide CAS Name: N-[amino-[4-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylanilino]methylidene]acetamide IUPAC Name: N-[amino-[4-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylanilino]methylidene]acetamide Traditional Name: N-[[4-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-anilino]-amino-methylene]acetamide Formula: C22H23N5O3S3 MolecularWeight: 501.64472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=NC(=O)C)N)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=NC(=O)C)N)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

InChI

InChI=1S/C22H23N5O3S3/c1-12-9-15(27-22(25)26-13(2)28)7-8-17(12)14-5-4-6-16(10-14)33(29,30)19-11-18(20(23)24)32-21(19)31-3/h4-11H,1-3H3,(H3,23,24)(H3,25,26,27,28)