N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-cyclohexyl-propanamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-cyclohexyl-propanamide Openeye Name: 3-cyclohexyl-N-[(4-guanidinosulfonylphenyl)carbamothioyl]propanamide CAS Name: 3-cyclohexyl-N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-cyclohexyl-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]propanamide Traditional Name: 3-cyclohexyl-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]propionamide Formula: C17H25N5O3S2 MolecularWeight: 411.5421

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C17H25N5O3S2/c18-16(19)22-27(24,25)14-9-7-13(8-10-14)20-17(26)21-15(23)11-6-12-4-2-1-3-5-12/h7-10,12H,1-6,11H2,(H4,18,19,22)(H2,20,21,23,26)