(4S,4aS)-4-(4-methylphenyl)-1-phenethyl-4a,5,6,7-tetrahydro-4H-3,1-benzothiazine-2-thione

Systemtic Name: (4S,4aS)-4-(4-methylphenyl)-1-phenethyl-4a,5,6,7-tetrahydro-4H-3,1-benzothiazine-2-thione Openeye Name: (4S,4aS)-1-phenethyl-4-(p-tolyl)-4a,5,6,7-tetrahydro-4H-3,1-benzothiazine-2-thione CAS Name: (4S,4aS)-4-(4-methylphenyl)-1-phenethyl-4a,5,6,7-tetrahydro-4H-3,1-benzothiazine-2-thione IUPAC Name: (4S,4aS)-4-(4-methylphenyl)-1-phenethyl-4a,5,6,7-tetrahydro-4H-3,1-benzothiazine-2-thione Traditional Name: (4S,4aS)-1-phenethyl-4-(p-tolyl)-4a,5,6,7-tetrahydro-4H-3,1-benzothiazine-2-thione Formula: C23H25NS2 MolecularWeight: 379.5813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3CCCC=C3N(C(=S)S2)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@H]3CCCC=C3N(C(=S)S2)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25NS2/c1-17-11-13-19(14-12-17)22-20-9-5-6-10-21(20)24(23(25)26-22)16-15-18-7-3-2-4-8-18/h2-4,7-8,10-14,20,22H,5-6,9,15-16H2,1H3/t20-,22+/m0/s1