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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-4-butoxy-benzamide Openeye Name: 4-butoxy-N-[(4-guanidinosulfonylphenyl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C19H23N5O4S2 MolecularWeight: 449.54702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C19H23N5O4S2/c1-2-3-12-28-15-8-4-13(5-9-15)17(25)23-19(29)22-14-6-10-16(11-7-14)30(26,27)24-18(20)21/h4-11H,2-3,12H2,1H3,(H4,20,21,24)(H2,22,23,25,29)