N-(4-bromanyl-3-methyl-phenyl)-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-benzyl-N-(4-bromo-3-methyl-phenyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-benzyl-N-(4-bromo-3-methylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-benzyl-N-(4-bromo-3-methyl-phenyl)-1,4-diazepane-1-carbothioamide Formula: C20H24BrN3S MolecularWeight: 418.39366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N2CCCN(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N2CCCN(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H24BrN3S/c1-16-14-18(8-9-19(16)21)22-20(25)24-11-5-10-23(12-13-24)15-17-6-3-2-4-7-17/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,22,25)