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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-3-(4-methylphenyl)-2-propenamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C18H19N5O3S2/c1-12-2-4-13(5-3-12)6-11-16(24)22-18(27)21-14-7-9-15(10-8-14)28(25,26)23-17(19)20/h2-11H,1H3,(H4,19,20,23)(H2,21,22,24,27)