N1,N4-bis(2-methoxyphenyl)-1,4-diazepane-1,4-dicarbothioamide

Systemtic Name: N1,N4-bis(2-methoxyphenyl)-1,4-diazepane-1,4-dicarbothioamide Openeye Name: N1,N4-bis(2-methoxyphenyl)-1,4-diazepane-1,4-dicarbothioamide CAS Name: N1,N4-bis(2-methoxyphenyl)-1,4-diazepane-1,4-dicarbothioamide IUPAC Name: 1-N,4-N-bis(2-methoxyphenyl)-1,4-diazepane-1,4-dicarbothioamide Traditional Name: N,N'-bis(2-methoxyphenyl)-1,4-diazepane-1,4-dicarbothioamide Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N2CCCN(CC2)C(=S)NC3=CC=CC=C3OC

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N2CCCN(CC2)C(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C21H26N4O2S2/c1-26-18-10-5-3-8-16(18)22-20(28)24-12-7-13-25(15-14-24)21(29)23-17-9-4-6-11-19(17)27-2/h3-6,8-11H,7,12-15H2,1-2H3,(H,22,28)(H,23,29)