4-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarbothioamide

Systemtic Name: 4-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarbothioamide Openeye Name: 4-[4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarbothioamide CAS Name: 4-[4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarbothioamide IUPAC Name: 4-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarbothioamide Traditional Name: 4-[4-[5-(2,6-dimethylpiperidino)pentyl]-3-keto-1,4-benzoxazin-2-yl]thiobenzamide Formula: C27H35N3O2S MolecularWeight: 465.6507

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=C(C=C4)C(=S)N)C

Isomeric SMILES

CC1CCCC(N1CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=C(C=C4)C(=S)N)C

InChI

InChI=1S/C27H35N3O2S/c1-19-9-8-10-20(2)29(19)17-6-3-7-18-30-23-11-4-5-12-24(23)32-25(27(30)31)21-13-15-22(16-14-21)26(28)33/h4-5,11-16,19-20,25H,3,6-10,17-18H2,1-2H3,(H2,28,33)