N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3S2/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/h1-11H,(H4,18,19,22)(H2,20,21,23,26)