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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-2-isopentyloxy-benzamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-2-isoamoxy-benzamide Formula: C20H25N5O4S2 MolecularWeight: 463.5736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C20H25N5O4S2/c1-13(2)11-12-29-17-6-4-3-5-16(17)18(26)24-20(30)23-14-7-9-15(10-8-14)31(27,28)25-19(21)22/h3-10,13H,11-12H2,1-2H3,(H4,21,22,25)(H2,23,24,26,30)