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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C17H16N6O5S2 MolecularWeight: 448.47614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O5S2/c18-16(19)22-30(27,28)14-8-4-12(5-9-14)20-17(29)21-15(24)10-3-11-1-6-13(7-2-11)23(25)26/h1-10H,(H4,18,19,22)(H2,20,21,24,29)