2-[1-(phenylmethyl)-2,3,6,7-tetrahydroazepin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-(phenylmethyl)-2,3,6,7-tetrahydroazepin-4-yl]-1,3-benzothiazole Openeye Name: 2-(1-benzyl-2,3,6,7-tetrahydroazepin-4-yl)-1,3-benzothiazole CAS Name: 2-[1-(phenylmethyl)-2,3,6,7-tetrahydroazepin-4-yl]-1,3-benzothiazole IUPAC Name: 2-(1-benzyl-2,3,6,7-tetrahydroazepin-4-yl)-1,3-benzothiazole Traditional Name: 2-(1-benzyl-2,3,6,7-tetrahydroazepin-4-yl)-1,3-benzothiazole Formula: C20H20N2S MolecularWeight: 320.4512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC(=C1)C2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC(=C1)C2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C20H20N2S/c1-2-7-16(8-3-1)15-22-13-6-9-17(12-14-22)20-21-18-10-4-5-11-19(18)23-20/h1-5,7-11H,6,12-15H2