N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-3-isobutoxy-benzamide Formula: C19H23N5O4S2 MolecularWeight: 449.54702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C19H23N5O4S2/c1-12(2)11-28-15-5-3-4-13(10-15)17(25)23-19(29)22-14-6-8-16(9-7-14)30(26,27)24-18(20)21/h3-10,12H,11H2,1-2H3,(H4,20,21,24)(H2,22,23,25,29)