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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C22H29N5O4S2 MolecularWeight: 491.62676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C22H29N5O4S2/c1-2-3-4-5-6-15-31-18-11-7-16(8-12-18)20(28)26-22(32)25-17-9-13-19(14-10-17)33(29,30)27-21(23)24/h7-14H,2-6,15H2,1H3,(H4,23,24,27)(H2,25,26,28,32)