4-(azepan-1-yl)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-nitro-benzamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NNC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=N\NC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3S/c1-24-17-8-4-5-9-19(17)30-21(24)23-22-20(27)15-10-11-16(18(14-15)26(28)29)25-12-6-2-3-7-13-25/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,27)/b23-21-