4-(phenylmethyl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(phenylmethyl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-benzyl-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(phenylmethyl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-benzyl-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-benzyl-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Formula: C22H29N3S MolecularWeight: 367.55076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3S/c1-17-14-19(3)21(15-18(17)2)23-22(26)25-11-7-10-24(12-13-25)16-20-8-5-4-6-9-20/h4-6,8-9,14-15H,7,10-13,16H2,1-3H3,(H,23,26)