5-octan-2-yl-8-phenylazanyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-octan-2-yl-8-phenylazanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 8-anilino-5-(1-methylheptyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 8-anilino-5-octan-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 8-anilino-5-octan-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 8-anilino-5-(1-methylheptyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C23H30N2OS MolecularWeight: 382.5621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2OS/c1-3-4-5-7-10-18(2)25-21-14-13-20(24-19-11-8-6-9-12-19)17-22(21)27-16-15-23(25)26/h6,8-9,11-14,17-18,24H,3-5,7,10,15-16H2,1-2H3