3-(phenylmethyl)benzenecarbothioamide; 4-(phenylmethyl)benzenecarbothioamide

Systemtic Name: 3-(phenylmethyl)benzenecarbothioamide; 4-(phenylmethyl)benzenecarbothioamide Openeye Name: 3-benzylbenzenecarbothioamide; 4-benzylbenzenecarbothioamide CAS Name: 3-(phenylmethyl)benzenecarbothioamide; 4-(phenylmethyl)benzenecarbothioamide IUPAC Name: 3-benzylbenzenecarbothioamide; 4-benzylbenzenecarbothioamide Traditional Name: 3-benzylthiobenzamide; 4-benzylthiobenzamide Formula: C28H26N2S2 MolecularWeight: 454.64944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=S)N.C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=S)N.C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/2C14H13NS/c15-14(16)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11;15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-8,10H,9H2,(H2,15,16);1-9H,10H2,(H2,15,16)