4-nitro-N-[3-oxidanylidene-3-[2-(phenylmethyl)imino-1,3-thiazinan-3-yl]propyl]benzamide

Systemtic Name: 4-nitro-N-[3-oxidanylidene-3-[2-(phenylmethyl)imino-1,3-thiazinan-3-yl]propyl]benzamide Openeye Name: N-[3-(2-benzylimino-1,3-thiazinan-3-yl)-3-oxo-propyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[3-oxo-3-[2-(phenylmethyl)imino-1,3-thiazinan-3-yl]propyl]benzamide IUPAC Name: N-[3-(2-benzylimino-1,3-thiazinan-3-yl)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-(2-benzylimino-1,3-thiazinan-3-yl)-3-keto-propyl]-4-nitro-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=NCC2=CC=CC=C2)SC1)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(=NCC2=CC=CC=C2)SC1)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c26-19(11-12-22-20(27)17-7-9-18(10-8-17)25(28)29)24-13-4-14-30-21(24)23-15-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H,22,27)