1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)thiourea

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)thiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)thiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzodioxol-5-yl)thiourea Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O4S2/c24-29(25,23-11-3-1-2-4-12-23)17-8-5-15(6-9-17)21-20(28)22-16-7-10-18-19(13-16)27-14-26-18/h5-10,13H,1-4,11-12,14H2,(H2,21,22,28)