2-(4-nitrophenyl)sulfanyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 2-[(4-nitrophenyl)thio]-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2-[(4-nitrophenyl)thio]-1-[4-(2-thenyl)-1,4-diazepan-1-yl]propan-1-one Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CC2=CC=CS2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CC2=CC=CS2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O3S2/c1-15(27-17-7-5-16(6-8-17)22(24)25)19(23)21-10-3-9-20(11-12-21)14-18-4-2-13-26-18/h2,4-8,13,15H,3,9-12,14H2,1H3