1-(3,4-dihydro-2H-thiochromen-4-yl)-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-thiochroman-4-yl-1,4-diazepane CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-(3,4-dihydro-2H-thiochromen-4-yl)-1,4-diazepane Traditional Name: 1-benzyl-4-thiochroman-4-yl-1,4-diazepane Formula: C21H26N2S MolecularWeight: 338.50954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2CCSC3=CC=CC=C23)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C2CCSC3=CC=CC=C23)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N2S/c1-2-7-18(8-3-1)17-22-12-6-13-23(15-14-22)20-11-16-24-21-10-5-4-9-19(20)21/h1-5,7-10,20H,6,11-17H2