6-(4-butan-2-ylphenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one

Systemtic Name: 6-(4-butan-2-ylphenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Openeye Name: 6-(4-sec-butylphenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one CAS Name: 6-(4-butan-2-ylphenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one IUPAC Name: 6-(4-butan-2-ylphenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Traditional Name: 6-(4-sec-butylphenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Formula: C23H25NOS MolecularWeight: 363.5157

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=CC=CC=C4S2

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=CC=CC=C4S2

InChI

InChI=1S/C23H25NOS/c1-3-15(2)16-11-13-17(14-12-16)23-22-19(8-6-9-20(22)25)24-18-7-4-5-10-21(18)26-23/h4-5,7,10-15,23-24H,3,6,8-9H2,1-2H3