N-cyclohexyl-2-phenyl-6H-5,1,3-benzothiadiazocin-4-amine

Systemtic Name: N-cyclohexyl-2-phenyl-6H-5,1,3-benzothiadiazocin-4-amine Openeye Name: N-cyclohexyl-2-phenyl-6H-5,1,3-benzothiadiazocin-4-amine CAS Name: N-cyclohexyl-2-phenyl-6H-5,1,3-benzothiadiazocin-4-amine IUPAC Name: N-cyclohexyl-2-phenyl-6H-5,1,3-benzothiadiazocin-4-amine Traditional Name: cyclohexyl-(2-phenyl-6H-5,1,3-benzothiadiazocin-4-yl)amine Formula: C21H23N3S MolecularWeight: 349.49242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C3CS2)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C3CS2)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3S/c1-3-9-16(10-4-1)20-23-19-14-8-7-11-17(19)15-25-21(24-20)22-18-12-5-2-6-13-18/h1,3-4,7-11,14,18H,2,5-6,12-13,15H2,(H,22,23,24)