4-[1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-2-yl]-N-[(8-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]butan-1-amine

Systemtic Name: 4-[1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-2-yl]-N-[(8-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]butan-1-amine Openeye Name: 4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-[(8-methoxychroman-2-yl)methyl]butan-1-amine CAS Name: 4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-[(8-methoxy-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]-1-butanamine IUPAC Name: 4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-2-yl)methyl]butan-1-amine Traditional Name: 4-(1,1-diketo-3H-1,2-benzothiazol-2-yl)butyl-[(8-methoxychroman-2-yl)methyl]amine Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(CC2)CNCCCCN3CC4=CC=CC=C4S3(=O)=O

Isomeric SMILES

COC1=CC=CC2=C1OC(CC2)CNCCCCN3CC4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H28N2O4S/c1-27-20-9-6-8-17-11-12-19(28-22(17)20)15-23-13-4-5-14-24-16-18-7-2-3-10-21(18)29(24,25)26/h2-3,6-10,19,23H,4-5,11-16H2,1H3