7-(4-tert-butylphenyl)-N-phenyl-3,4,5,6-tetrahydro-1,2-diazepine-2-carbothioamide

Systemtic Name: 7-(4-tert-butylphenyl)-N-phenyl-3,4,5,6-tetrahydro-1,2-diazepine-2-carbothioamide Openeye Name: 7-(4-tert-butylphenyl)-N-phenyl-3,4,5,6-tetrahydrodiazepine-2-carbothioamide CAS Name: 7-(4-tert-butylphenyl)-N-phenyl-3,4,5,6-tetrahydrodiazepine-2-carbothioamide IUPAC Name: 7-(4-tert-butylphenyl)-N-phenyl-3,4,5,6-tetrahydrodiazepine-2-carbothioamide Traditional Name: 7-(4-tert-butylphenyl)-N-phenyl-3,4,5,6-tetrahydrodiazepine-2-carbothioamide Formula: C22H27N3S MolecularWeight: 365.53488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(CCCC2)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(CCCC2)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H27N3S/c1-22(2,3)18-14-12-17(13-15-18)20-11-7-8-16-25(24-20)21(26)23-19-9-5-4-6-10-19/h4-6,9-10,12-15H,7-8,11,16H2,1-3H3,(H,23,26)