methyl 2-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]carbothioylamino]ethanoate

Systemtic Name: methyl 2-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carbothioyl]amino]acetate CAS Name: 2-[[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carbothioyl]amino]acetate Traditional Name: 2-[[4-(4-acetamidobenzyl)-1,4-diazepane-1-carbothioyl]amino]acetic acid methyl ester Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NCC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NCC(=O)OC

InChI

InChI=1S/C18H26N4O3S/c1-14(23)20-16-6-4-15(5-7-16)13-21-8-3-9-22(11-10-21)18(26)19-12-17(24)25-2/h4-7H,3,8-13H2,1-2H3,(H,19,26)(H,20,23)