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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C18H19N5O4S2/c1-27-14-7-2-12(3-8-14)4-11-16(24)22-18(28)21-13-5-9-15(10-6-13)29(25,26)23-17(19)20/h2-11H,1H3,(H4,19,20,23)(H2,21,22,24,28)