1-(4-isothiocyanatophenyl)-4-methyl-1,4-diazepane

Systemtic Name: 1-(4-isothiocyanatophenyl)-4-methyl-1,4-diazepane Openeye Name: 1-(4-isothiocyanatophenyl)-4-methyl-1,4-diazepane CAS Name: 1-(4-isothiocyanatophenyl)-4-methyl-1,4-diazepane IUPAC Name: 1-(4-isothiocyanatophenyl)-4-methyl-1,4-diazepane Traditional Name: 1-(4-isothiocyanatophenyl)-4-methyl-1,4-diazepane Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

CN1CCCN(CC1)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C13H17N3S/c1-15-7-2-8-16(10-9-15)13-5-3-12(4-6-13)14-11-17/h3-6H,2,7-10H2,1H3