N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(4-guanidinosulfonylphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C17H14ClN5O3S3 MolecularWeight: 467.97276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N)Cl

InChI

InChI=1S/C17H14ClN5O3S3/c18-13-11-3-1-2-4-12(11)28-14(13)15(24)22-17(27)21-9-5-7-10(8-6-9)29(25,26)23-16(19)20/h1-8H,(H4,19,20,23)(H2,21,22,24,27)