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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-4-methyl-benzamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-4-methyl-benzamide Formula: C16H17N5O3S2 MolecularWeight: 391.46788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C16H17N5O3S2/c1-10-2-4-11(5-3-10)14(22)20-16(25)19-12-6-8-13(9-7-12)26(23,24)21-15(17)18/h2-9H,1H3,(H4,17,18,21)(H2,19,20,22,25)