[(3-butylsulfanyl-1,3-dicyclopropyl-butylidene)amino] N-(3-nitrophenyl)carbamate

Systemtic Name: [(3-butylsulfanyl-1,3-dicyclopropyl-butylidene)amino] N-(3-nitrophenyl)carbamate Openeye Name: [(3-butylsulfanyl-1,3-dicyclopropyl-butylidene)amino] N-(3-nitrophenyl)carbamate CAS Name: N-(3-nitrophenyl)carbamic acid [[3-(butylthio)-1,3-dicyclopropylbutylidene]amino] ester IUPAC Name: [(3-butylsulfanyl-1,3-dicyclopropylbutylidene)amino] N-(3-nitrophenyl)carbamate Traditional Name: N-(3-nitrophenyl)carbamic acid [[3-(butylthio)-1,3-dicyclopropyl-butylidene]amino] ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(C)(CC(=NOC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C2CC2)C3CC3

Isomeric SMILES

CCCCSC(C)(CC(=NOC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C2CC2)C3CC3

InChI

InChI=1S/C21H29N3O4S/c1-3-4-12-29-21(2,16-10-11-16)14-19(15-8-9-15)23-28-20(25)22-17-6-5-7-18(13-17)24(26)27/h5-7,13,15-16H,3-4,8-12,14H2,1-2H3,(H,22,25)