N-[3-[(6-butyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[(6-butyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[(6-butyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[(6-butyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[(6-butyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[(6-butyl-1,3-benzothiazol-2-yl)amino]-3-keto-propyl]-4-nitro-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-2-3-4-14-5-10-17-18(13-14)30-21(23-17)24-19(26)11-12-22-20(27)15-6-8-16(9-7-15)25(28)29/h5-10,13H,2-4,11-12H2,1H3,(H,22,27)(H,23,24,26)