5-(4-methylpentan-2-yl)-8-phenylazanyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-(4-methylpentan-2-yl)-8-phenylazanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 8-anilino-5-(1,3-dimethylbutyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 8-anilino-5-(4-methylpentan-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 8-anilino-5-(4-methylpentan-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 8-anilino-5-(1,3-dimethylbutyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)N1C(=O)CCSC2=C1C=CC(=C2)NC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C)N1C(=O)CCSC2=C1C=CC(=C2)NC3=CC=CC=C3

InChI

InChI=1S/C21H26N2OS/c1-15(2)13-16(3)23-19-10-9-18(22-17-7-5-4-6-8-17)14-20(19)25-12-11-21(23)24/h4-10,14-16,22H,11-13H2,1-3H3