bis(azanyl)methylidene-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]phenyl]sulfonyl-azanium

Systemtic Name: bis(azanyl)methylidene-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]phenyl]sulfonyl-azanium Openeye Name: [4-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]phenyl]sulfonyl-(diaminomethylene)ammonium CAS Name: [4-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]sulfonyl-(diaminomethylidene)ammonium IUPAC Name: [4-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]phenyl]sulfonyl-(diaminomethylidene)azanium Traditional Name: [4-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]phenyl]sulfonyl-(diaminomethylene)ammonium Formula: C17H15ClN5O3S3+ MolecularWeight: 468.9807

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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)[NH+]=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)[NH+]=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)/p+1