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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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