N-[4-(diethylamino)phenyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[4-(diethylamino)phenyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[4-(diethylamino)phenyl]-4-(2-furylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[4-(diethylamino)phenyl]-4-(2-furanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[4-(diethylamino)phenyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[4-(diethylamino)phenyl]-4-(2-furfuryl)-1,4-diazepane-1-carbothioamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C21H30N4OS/c1-3-24(4-2)19-10-8-18(9-11-19)22-21(27)25-13-6-12-23(14-15-25)17-20-7-5-16-26-20/h5,7-11,16H,3-4,6,12-15,17H2,1-2H3,(H,22,27)