4-(thiophen-3-ylmethyl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(thiophen-3-ylmethyl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(3-thienylmethyl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(3-thiophenylmethyl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(thiophen-3-ylmethyl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(3-thenyl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Formula: C20H27N3S2 MolecularWeight: 373.57848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3S2/c1-15-11-17(3)19(12-16(15)2)21-20(24)23-7-4-6-22(8-9-23)13-18-5-10-25-14-18/h5,10-12,14H,4,6-9,13H2,1-3H3,(H,21,24)