[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] ester IUPAC Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] ester Formula: C21H24N2OS3 MolecularWeight: 416.62306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)N1C(CSC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)N1[C@H](CSC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2OS3/c1-3-22(4-2)21(25)27-15-20(24)23-17-12-8-9-13-19(17)26-14-18(23)16-10-6-5-7-11-16/h5-13,18H,3-4,14-15H2,1-2H3/t18-/m1/s1