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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C21H27N5O4S2 MolecularWeight: 477.60018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C21H27N5O4S2/c1-2-3-4-7-14-30-18-9-6-5-8-17(18)19(27)25-21(31)24-15-10-12-16(13-11-15)32(28,29)26-20(22)23/h5-6,8-13H,2-4,7,14H2,1H3,(H4,22,23,26)(H2,24,25,27,31)