[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C19H27N3OS2 MolecularWeight: 377.56718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC(=S)N3CCCC3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC(=S)N3CCCC3

InChI

InChI=1S/C19H27N3OS2/c23-18(15-25-19(24)22-13-5-6-14-22)20-16-7-9-17(10-8-16)21-11-3-1-2-4-12-21/h7-10H,1-6,11-15H2,(H,20,23)