6-(1,3-benzothiazol-2-yl)-N5-(4-methylphenyl)-2,3-dihydro-1,4-oxazepine-5,7-diamine

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-N5-(4-methylphenyl)-2,3-dihydro-1,4-oxazepine-5,7-diamine Openeye Name: 6-(1,3-benzothiazol-2-yl)-N5-(p-tolyl)-2,3-dihydro-1,4-oxazepine-5,7-diamine CAS Name: 6-(1,3-benzothiazol-2-yl)-N5-(4-methylphenyl)-2,3-dihydro-1,4-oxazepine-5,7-diamine IUPAC Name: 6-(1,3-benzothiazol-2-yl)-5-N-(4-methylphenyl)-2,3-dihydro-1,4-oxazepine-5,7-diamine Traditional Name: [7-amino-6-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-oxazepin-5-yl]-(p-tolyl)amine Formula: C19H18N4OS MolecularWeight: 350.43742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NCCOC(=C2C3=NC4=CC=CC=C4S3)N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NCCOC(=C2C3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C19H18N4OS/c1-12-6-8-13(9-7-12)22-18-16(17(20)24-11-10-21-18)19-23-14-4-2-3-5-15(14)25-19/h2-9H,10-11,20H2,1H3,(H,21,22)