(7-methyl-4-oxidanylidene-chromen-3-yl)methyl N,N-bis(2-chloroethyl)carbamodithioate

Systemtic Name: (7-methyl-4-oxidanylidene-chromen-3-yl)methyl N,N-bis(2-chloroethyl)carbamodithioate Openeye Name: (7-methyl-4-oxo-chromen-3-yl)methyl N,N-bis(2-chloroethyl)carbamodithioate CAS Name: N,N-bis(2-chloroethyl)carbamodithioic acid (7-methyl-4-oxo-1-benzopyran-3-yl)methyl ester IUPAC Name: (7-methyl-4-oxochromen-3-yl)methyl N,N-bis(2-chloroethyl)carbamodithioate Traditional Name: N,N-bis(2-chloroethyl)carbamodithioic acid (4-keto-7-methyl-chromen-3-yl)methyl ester Formula: C16H17Cl2NO2S2 MolecularWeight: 390.34768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=CO2)CSC(=S)N(CCCl)CCCl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C(=CO2)CSC(=S)N(CCCl)CCCl

InChI

InChI=1S/C16H17Cl2NO2S2/c1-11-2-3-13-14(8-11)21-9-12(15(13)20)10-23-16(22)19(6-4-17)7-5-18/h2-3,8-9H,4-7,10H2,1H3