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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NOS/c1-4-5-15-27-18-20(3)19(2)16-24-23-14-10-9-13-22(23)17-25(29-24)26(28)21-11-7-6-8-12-21/h6-14,17,24,27H,4-5,15-16,18H2,1-3H3/b20-19-