[2-oxidanylidene-2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate

Systemtic Name: [2-oxidanylidene-2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate Openeye Name: [2-[4-(2-anilino-2-oxo-ethyl)-1,4-diazepan-1-yl]-2-oxo-ethyl] benzenecarbodithioate CAS Name: benzenecarbodithioic acid [2-[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]-2-oxoethyl] benzenecarbodithioate Traditional Name: benzenecarbodithioic acid [2-[4-(2-anilino-2-keto-ethyl)-1,4-diazepan-1-yl]-2-keto-ethyl] ester Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC(=S)C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC(=S)C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S2/c26-20(23-19-10-5-2-6-11-19)16-24-12-7-13-25(15-14-24)21(27)17-29-22(28)18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2,(H,23,26)