2-(4-phenylbutylamino)-1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)propan-1-ol

Systemtic Name: 2-(4-phenylbutylamino)-1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)propan-1-ol Openeye Name: 2-(4-phenylbutylamino)-1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)propan-1-ol CAS Name: 2-(4-phenylbutylamino)-1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)-1-propanol IUPAC Name: 2-(4-phenylbutylamino)-1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)propan-1-ol Traditional Name: 2-(4-phenylbutylamino)-1-(2,3,4,5-tetrahydro-1-benzothiepin-7-yl)propan-1-ol Formula: C23H31NOS MolecularWeight: 369.56334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC2=C(C=C1)SCCCC2)O)NCCCCC3=CC=CC=C3

Isomeric SMILES

CC(C(C1=CC2=C(C=C1)SCCCC2)O)NCCCCC3=CC=CC=C3

InChI

InChI=1S/C23H31NOS/c1-18(24-15-7-5-11-19-9-3-2-4-10-19)23(25)21-13-14-22-20(17-21)12-6-8-16-26-22/h2-4,9-10,13-14,17-18,23-25H,5-8,11-12,15-16H2,1H3