1-cycloheptyl-1-(diisothiocyanatomethyl)cycloheptane

Systemtic Name: 1-cycloheptyl-1-(diisothiocyanatomethyl)cycloheptane Openeye Name: 1-cycloheptyl-1-(diisothiocyanatomethyl)cycloheptane CAS Name: 1-cycloheptyl-1-(diisothiocyanatomethyl)cycloheptane IUPAC Name: 1-cycloheptyl-1-(diisothiocyanatomethyl)cycloheptane Traditional Name: 1-cycloheptyl-1-(diisothiocyanatomethyl)cycloheptane Formula: C17H26N2S2 MolecularWeight: 322.53174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2(CCCCCC2)C(N=C=S)N=C=S

Isomeric SMILES

C1CCCC(CC1)C2(CCCCCC2)C(N=C=S)N=C=S

InChI

InChI=1S/C17H26N2S2/c20-13-18-16(19-14-21)17(11-7-3-4-8-12-17)15-9-5-1-2-6-10-15/h15-16H,1-12H2