7-azanyl-1,1-bis(oxidanylidene)-5-phenyl-3,3-dipropyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol

Systemtic Name: 7-azanyl-1,1-bis(oxidanylidene)-5-phenyl-3,3-dipropyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Openeye Name: 7-amino-1,1-dioxo-5-phenyl-3,3-dipropyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol CAS Name: 7-amino-1,1-dioxo-5-phenyl-3,3-dipropyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol IUPAC Name: 7-amino-1,1-dioxo-5-phenyl-3,3-dipropyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Traditional Name: 7-amino-1,1-diketo-5-phenyl-3,3-dipropyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N)C(C1O)C3=CC=CC=C3)CCC

Isomeric SMILES

CCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N)C(C1O)C3=CC=CC=C3)CCC

InChI

InChI=1S/C22H29NO3S/c1-3-12-22(13-4-2)15-27(25,26)19-11-10-17(23)14-18(19)20(21(22)24)16-8-6-5-7-9-16/h5-11,14,20-21,24H,3-4,12-13,15,23H2,1-2H3