1-butyl-1-ethyl-3-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea

Systemtic Name: 1-butyl-1-ethyl-3-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-butyl-1-ethyl-3-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-butyl-1-ethyl-3-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-butyl-1-ethyl-3-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-butyl-1-ethyl-3-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)urea Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC

Isomeric SMILES

CCCCN(CC)C(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC

InChI

InChI=1S/C22H27N3O2S/c1-4-7-14-24(5-2)22(27)23-16-12-13-20-18(15-16)25(6-3)21(26)17-10-8-9-11-19(17)28-20/h8-13,15H,4-7,14H2,1-3H3,(H,23,27)