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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: 3-ethoxy-N-[(4-guanidinosulfonylphenyl)carbamothioyl]benzamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-ethoxybenzamide Traditional Name: 3-ethoxy-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C17H19N5O4S2 MolecularWeight: 421.49386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C17H19N5O4S2/c1-2-26-13-5-3-4-11(10-13)15(23)21-17(27)20-12-6-8-14(9-7-12)28(24,25)22-16(18)19/h3-10H,2H2,1H3,(H4,18,19,22)(H2,20,21,23,27)