N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-(3-methylbutoxy)benzamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-(3-methylbutoxy)benzamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-3-isopentyloxy-benzamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-3-(3-methylbutoxy)benzamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-3-isoamoxy-benzamide Formula: C20H25N5O4S2 MolecularWeight: 463.5736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4S2/c1-13(2)10-11-29-16-5-3-4-14(12-16)18(26)24-20(30)23-15-6-8-17(9-7-15)31(27,28)25-19(21)22/h3-9,12-13H,10-11H2,1-2H3,(H4,21,22,25)(H2,23,24,26,30)