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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C20H23N5O3S2 MolecularWeight: 445.55832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)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/C20H23N5O3S2/c1-13(2)15-6-3-14(4-7-15)5-12-18(26)24-20(29)23-16-8-10-17(11-9-16)30(27,28)25-19(21)22/h3-13H,1-2H3,(H4,21,22,25)(H2,23,24,26,29)