N,N-dibutyl-4-methylsulfanyl-3H-1,5-benzodiazepin-2-amine

Systemtic Name: N,N-dibutyl-4-methylsulfanyl-3H-1,5-benzodiazepin-2-amine Openeye Name: N,N-dibutyl-4-methylsulfanyl-3H-1,5-benzodiazepin-2-amine CAS Name: N,N-dibutyl-4-(methylthio)-3H-1,5-benzodiazepin-2-amine IUPAC Name: N,N-dibutyl-4-methylsulfanyl-3H-1,5-benzodiazepin-2-amine Traditional Name: dibutyl-[4-(methylthio)-3H-1,5-benzodiazepin-2-yl]amine Formula: C18H27N3S MolecularWeight: 317.49208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=NC2=CC=CC=C2N=C(C1)SC

Isomeric SMILES

CCCCN(CCCC)C1=NC2=CC=CC=C2N=C(C1)SC

InChI

InChI=1S/C18H27N3S/c1-4-6-12-21(13-7-5-2)17-14-18(22-3)20-16-11-9-8-10-15(16)19-17/h8-11H,4-7,12-14H2,1-3H3