(10-chloranyl-12-methyl-benzo[a]anthracen-7-yl)methyl carbamimidothioate hydrochloride

Systemtic Name: (10-chloranyl-12-methyl-benzo[a]anthracen-7-yl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(10-chloro-12-methyl-benzo[a]anthracen-7-yl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (10-chloro-12-methyl-7-benzo[a]anthracenyl)methyl ester hydrochloride IUPAC Name: (10-chloro-12-methylbenzo[a]anthracen-7-yl)methyl carbamimidothioate hydrochloride Traditional Name: 2-[(10-chloro-12-methyl-benz[a]anthracen-7-yl)methyl]isothiourea hydrochloride Formula: C21H18Cl2N2S MolecularWeight: 401.35202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=C(C3=C1C4=CC=CC=C4C=C3)CSC(=N)N)Cl.Cl

Isomeric SMILES

CC1=C2C=C(C=CC2=C(C3=C1C4=CC=CC=C4C=C3)CSC(=N)N)Cl.Cl

InChI

InChI=1S/C21H17ClN2S.ClH/c1-12-18-10-14(22)7-9-16(18)19(11-25-21(23)24)17-8-6-13-4-2-3-5-15(13)20(12)17;/h2-10H,11H2,1H3,(H3,23,24);1H