N-(1,3-benzothiazol-2-yl)-2-chloranyl-N-[(5S)-5-methylheptyl]-4-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-chloranyl-N-[(5S)-5-methylheptyl]-4-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-[(5S)-5-methylheptyl]-4-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-[(5S)-5-methylheptyl]-4-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-[(5S)-5-methylheptyl]-4-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-[(5S)-5-methylheptyl]-4-nitro-benzamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC[C@H](C)CCCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H24ClN3O3S/c1-3-15(2)8-6-7-13-25(22-24-19-9-4-5-10-20(19)30-22)21(27)17-12-11-16(26(28)29)14-18(17)23/h4-5,9-12,14-15H,3,6-8,13H2,1-2H3/t15-/m0/s1