N-(3-ethylphenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-ethylphenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-ethylphenyl)-4-(3-thienylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(3-ethylphenyl)-4-(3-thiophenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-ethylphenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-ethylphenyl)-4-(3-thenyl)-1,4-diazepane-1-carbothioamide Formula: C19H25N3S2 MolecularWeight: 359.5519

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C19H25N3S2/c1-2-16-5-3-6-18(13-16)20-19(23)22-9-4-8-21(10-11-22)14-17-7-12-24-15-17/h3,5-7,12-13,15H,2,4,8-11,14H2,1H3,(H,20,23)