4-[bis(azanyl)methylideneamino]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide hydrochloride

Systemtic Name: 4-[bis(azanyl)methylideneamino]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide hydrochloride Openeye Name: 4-guanidino-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide hydrochloride CAS Name: 4-(diaminomethylideneamino)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide hydrochloride IUPAC Name: 4-(diaminomethylideneamino)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide hydrochloride Traditional Name: 4-guanidino-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide hydrochloride Formula: C15H13ClN6O3S MolecularWeight: 392.82012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])N=C(N)N.Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])N=C(N)N.Cl

InChI

InChI=1S/C15H12N6O3S.ClH/c16-14(17)18-9-3-1-8(2-4-9)13(22)20-15-19-11-6-5-10(21(23)24)7-12(11)25-15;/h1-7H,(H4,16,17,18)(H,19,20,22);1H