N-[(E)-(2-azanyl-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-ylidene)amino]-3-nitro-benzamide

Systemtic Name: N-[(E)-(2-azanyl-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-ylidene)amino]-3-nitro-benzamide Openeye Name: N-[(E)-(2-amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-ylidene)amino]-3-nitro-benzamide CAS Name: N-[(E)-(2-amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-ylidene)amino]-3-nitrobenzamide IUPAC Name: N-[(E)-(2-amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-ylidene)amino]-3-nitrobenzamide Traditional Name: N-[(E)-(2-amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-ylidene)amino]-3-nitro-benzamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C1)SC(=N2)N)C

Isomeric SMILES

CC1(CC2=C(/C(=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])/C1)SC(=N2)N)C

InChI

InChI=1S/C16H17N5O3S/c1-16(2)7-11-13(25-15(17)18-11)12(8-16)19-20-14(22)9-4-3-5-10(6-9)21(23)24/h3-6H,7-8H2,1-2H3,(H2,17,18)(H,20,22)/b19-12+