[(E)-(2-propan-2-ylimino-1,3-dithiolan-4-ylidene)amino] N-butyl-N-(4-nitrophenyl)sulfanyl-carbamate

Systemtic Name: [(E)-(2-propan-2-ylimino-1,3-dithiolan-4-ylidene)amino] N-butyl-N-(4-nitrophenyl)sulfanyl-carbamate Openeye Name: [(E)-(2-isopropylimino-1,3-dithiolan-4-ylidene)amino] N-butyl-N-(4-nitrophenyl)sulfanyl-carbamate CAS Name: N-butyl-N-[(4-nitrophenyl)thio]carbamic acid [(E)-(2-propan-2-ylimino-1,3-dithiolan-4-ylidene)amino] ester IUPAC Name: [(E)-(2-propan-2-ylimino-1,3-dithiolan-4-ylidene)amino] N-butyl-N-(4-nitrophenyl)sulfanylcarbamate Traditional Name: N-butyl-N-[(4-nitrophenyl)thio]carbamic acid [(E)-(2-isopropylimino-1,3-dithiolan-4-ylidene)amino] ester Formula: C17H22N4O4S3 MolecularWeight: 442.57598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)ON=C1CSC(=NC(C)C)S1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C(=O)O/N=C/1\CSC(=NC(C)C)S1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S3/c1-4-5-10-20(28-14-8-6-13(7-9-14)21(23)24)17(22)25-19-15-11-26-16(27-15)18-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3/b18-16?,19-15+