1-(5,11-dihydro-[1]benzothiepino[3,4-b]pyridin-11-yl)-1,3-diethyl-urea

Systemtic Name: 1-(5,11-dihydro-[1]benzothiepino[3,4-b]pyridin-11-yl)-1,3-diethyl-urea Openeye Name: 1-(5,11-dihydro-[1]benzothiepino[3,4-b]pyridin-11-yl)-1,3-diethyl-urea CAS Name: 1-(5,11-dihydro-[1]benzothiepino[3,4-b]pyridin-11-yl)-1,3-diethylurea IUPAC Name: 1-(5,11-dihydro-[1]benzothiepino[3,4-b]pyridin-11-yl)-1,3-diethylurea Traditional Name: 1-(5,11-dihydro-[1]benzothiepino[3,4-b]pyridin-11-yl)-1,3-diethyl-urea Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC)C1C2=C(CSC3=CC=CC=C13)N=CC=C2

Isomeric SMILES

CCNC(=O)N(CC)C1C2=C(CSC3=CC=CC=C13)N=CC=C2

InChI

InChI=1S/C18H21N3OS/c1-3-19-18(22)21(4-2)17-13-9-7-11-20-15(13)12-23-16-10-6-5-8-14(16)17/h5-11,17H,3-4,12H2,1-2H3,(H,19,22)