1-(4-methoxyphenyl)-3-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]urea

Systemtic Name: 1-(4-methoxyphenyl)-3-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]urea Openeye Name: 1-(4-methoxyphenyl)-3-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-propyl]urea CAS Name: 1-(4-methoxyphenyl)-3-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]urea Traditional Name: 1-[3-keto-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propyl]-3-(4-methoxyphenyl)urea Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCNC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCNC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O3S/c1-15-12-14-24(18-5-3-4-6-19(18)28-15)20(25)11-13-22-21(26)23-16-7-9-17(27-2)10-8-16/h3-10,15H,11-14H2,1-2H3,(H2,22,23,26)