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

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-(4-bromophenyl)prop-2-enamide Openeye Name: 3-(4-bromophenyl)-N-[(4-guanidinosulfonylphenyl)carbamothioyl]prop-2-enamide CAS Name: 3-(4-bromophenyl)-N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-bromophenyl)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]prop-2-enamide Traditional Name: 3-(4-bromophenyl)-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]acrylamide Formula: C17H16BrN5O3S2 MolecularWeight: 482.37464

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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)Br

Isomeric SMILES

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)Br

InChI

InChI=1S/C17H16BrN5O3S2/c18-12-4-1-11(2-5-12)3-10-15(24)22-17(27)21-13-6-8-14(9-7-13)28(25,26)23-16(19)20/h1-10H,(H4,19,20,23)(H2,21,22,24,27)