[1-[(Z)-4-(diethylamino)-2,3-dimethyl-but-2-enyl]-1H-isothiochromen-3-yl]-phenyl-methanone

Systemtic Name: [1-[(Z)-4-(diethylamino)-2,3-dimethyl-but-2-enyl]-1H-isothiochromen-3-yl]-phenyl-methanone Openeye Name: [1-[(Z)-4-(diethylamino)-2,3-dimethyl-but-2-enyl]-1H-isothiochromen-3-yl]-phenyl-methanone CAS Name: [1-[(Z)-4-(diethylamino)-2,3-dimethylbut-2-enyl]-1H-2-benzothiopyran-3-yl]-phenylmethanone IUPAC Name: [1-[(Z)-4-(diethylamino)-2,3-dimethylbut-2-enyl]-1H-isothiochromen-3-yl]-phenylmethanone Traditional Name: [1-[(Z)-4-(diethylamino)-2,3-dimethyl-but-2-enyl]-1H-isothiochromen-3-yl]-phenyl-methanone Formula: C26H31NOS MolecularWeight: 405.59544

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=C(C)CC1C2=CC=CC=C2C=C(S1)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)C/C(=C(/C)\CC1C2=CC=CC=C2C=C(S1)C(=O)C3=CC=CC=C3)/C

InChI

InChI=1S/C26H31NOS/c1-5-27(6-2)18-20(4)19(3)16-24-23-15-11-10-14-22(23)17-25(29-24)26(28)21-12-8-7-9-13-21/h7-15,17,24H,5-6,16,18H2,1-4H3/b20-19-